2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-1-pyrrolidin-1-ylpropan-1-one

C14H24F3N3O — CID 64850823

IUPAC2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C14H24F3N3O/c1-11(13(21)19-8-2-3-9-19)20(10-14(15,16)17)12-4-6-18-7-5-12/h11-12,18H,2-10H2,1H3
InChIKeySINRNOIHFCVKCS-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.61
Rot. Bonds4

About 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-1-pyrrolidin-1-ylpropan-1-one

2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 64850823) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID64850823
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Name2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C14H24F3N3O/c1-11(13(21)19-8-2-3-9-19)20(10-14(15,16)17)12-4-6-18-7-5-12/h11-12,18H,2-10H2,1H3
InChIKeySINRNOIHFCVKCS-UHFFFAOYSA-N
XLogP1.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 79716618
2-[cyclopropyl(piperidin-2-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106631682
2-[cyclopentyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]acetic acid
CID 60833964
2-[piperidin-4-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 79714399
N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 116655125
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 61231358
2-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43423493
N-piperidin-4-yl-N-propylazepane-1-carboxamide
CID 79152738
3,3-dimethyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 43603425
N-piperidin-4-yl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112602446
2-methylpropyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate
CID 43604144
2-methyl-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pentanamide
CID 43603389

Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 64850823) is 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-1-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCCC1)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is SINRNOIHFCVKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c1-11(13(21)19-8-2-3-9-19)20(10-14(15,16)17)12-4-6-18-7-5-12/h11-12,18H,2-10H2,1H3.
What are the key properties of 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 307.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 64850823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).