1-(cyclopropylmethyl)pyrrolidin-3-amine;2-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxylic acid

C74H91F9N10O4 — CID 157437440

IUPAC1-(cyclopropylmethyl)pyrrolidin-3-amine;2-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxylic acid
SMILESNC1CCN(CC2CC2)C1.O=C(C[C@@H]1CCN(CC2CC2)C1)C1CCN(c2ccc(C(F)(F)F)c3ncccc23)CC1.O=C(C[C@H]1CCN(CC2CC2)C1)C1CCN(c2ccc(C(F)(F)F)c3ncccc23)CC1.O=C(O)C1CCN(c2ccc(C(F)(F)F)c3ncccc23)CC1
InChIInChI=1S/2C25H30F3N3O.C16H15F3N2O2.C8H16N2/c2*26-25(27,28)21-5-6-22(20-2-1-10-29-24(20)21)31-12-8-19(9-13-31)23(32)14-18-7-11-30(16-18)15-17-3-4-17;17-16(18,19)12-3-4-13(11-2-1-7-20-14(11)12)21-8-5-10(6-9-21)15(22)23;9-8-3-4-10(6-8)5-7-1-2-7/h2*1-2,5-6,10,17-19H,3-4,7-9,11-16H2;1-4,7,10H,5-6,8-9H2,(H,22,23);7-8H,1-6,9H2/t2*18-;;/m10../s1
InChIKeyBRGTWZNNZCBCHA-PNEGYFAFSA-N
MW1355.59 g/mol
LogP14.31
Rot. Bonds16

About 1-(cyclopropylmethyl)pyrrolidin-3-amine;2-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxylic acid

1-(cyclopropylmethyl)pyrrolidin-3-amine;2-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxylic acid (PubChem CID 157437440) has the molecular formula C74H91F9N10O4 and a molecular weight of 1355.59 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)pyrrolidin-3-amine;2-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)pyrrolidin-3-amine;2-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxylic acid
PubChem CID157437440
Molecular FormulaC74H91F9N10O4
Molecular Weight1355.59 g/mol
Exact Mass1354.71
IUPAC Name1-(cyclopropylmethyl)pyrrolidin-3-amine;2-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxylic acid
SMILESNC1CCN(CC2CC2)C1.O=C(C[C@@H]1CCN(CC2CC2)C1)C1CCN(c2ccc(C(F)(F)F)c3ncccc23)CC1.O=C(C[C@H]1CCN(CC2CC2)C1)C1CCN(c2ccc(C(F)(F)F)c3ncccc23)CC1.O=C(O)C1CCN(c2ccc(C(F)(F)F)c3ncccc23)CC1
InChIInChI=1S/2C25H30F3N3O.C16H15F3N2O2.C8H16N2/c2*26-25(27,28)21-5-6-22(20-2-1-10-29-24(20)21)31-12-8-19(9-13-31)23(32)14-18-7-11-30(16-18)15-17-3-4-17;17-16(18,19)12-3-4-13(11-2-1-7-20-14(11)12)21-8-5-10(6-9-21)15(22)23;9-8-3-4-10(6-8)5-7-1-2-7/h2*1-2,5-6,10,17-19H,3-4,7-9,11-16H2;1-4,7,10H,5-6,8-9H2,(H,22,23);7-8H,1-6,9H2/t2*18-;;/m10../s1
InChIKeyBRGTWZNNZCBCHA-PNEGYFAFSA-N
XLogP14.31
TPSA155.57 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001355.59
LogP ≤ 514.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 1-(cyclopropylmethyl)pyrrolidin-3-amine;2-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)pyrrolidin-3-amine;2-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)pyrrolidin-3-amine;2-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxylic acid (CID 157437440) is 1-(cyclopropylmethyl)pyrrolidin-3-amine;2-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)pyrrolidin-3-amine;2-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)pyrrolidin-3-amine;2-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxylic acid is NC1CCN(CC2CC2)C1.O=C(C[C@@H]1CCN(CC2CC2)C1)C1CCN(c2ccc(C(F)(F)F)c3ncccc23)CC1.O=C(C[C@H]1CCN(CC2CC2)C1)C1CCN(c2ccc(C(F)(F)F)c3ncccc23)CC1.O=C(O)C1CCN(c2ccc(C(F)(F)F)c3ncccc23)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)pyrrolidin-3-amine;2-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxylic acid?
The InChIKey is BRGTWZNNZCBCHA-PNEGYFAFSA-N. The full InChI is InChI=1S/2C25H30F3N3O.C16H15F3N2O2.C8H16N2/c2*26-25(27,28)21-5-6-22(20-2-1-10-29-24(20)21)31-12-8-19(9-13-31)23(32)14-18-7-11-30(16-18)15-17-3-4-17;17-16(18,19)12-3-4-13(11-2-1-7-20-14(11)12)21-8-5-10(6-9-21)15(22)23;9-8-3-4-10(6-8)5-7-1-2-7/h2*1-2,5-6,10,17-19H,3-4,7-9,11-16H2;1-4,7,10H,5-6,8-9H2,(H,22,23);7-8H,1-6,9H2/t2*18-;;/m10../s1.
What are the key properties of 1-(cyclopropylmethyl)pyrrolidin-3-amine;2-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxylic acid?
1-(cyclopropylmethyl)pyrrolidin-3-amine;2-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxylic acid has a molecular weight of 1355.59 g/mol, XLogP of 14.31, 16 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)pyrrolidin-3-amine;2-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;2-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-1-[1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-4-yl]ethanone;1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 157437440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).