N-(2-piperidin-1-ylethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxamide

C23H29F3N4O — CID 129266606

IUPACN-(2-piperidin-1-ylethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxamide
SMILESO=C(NCCN1CCCCC1)C1CCN(c2ccc(C(F)(F)F)c3ncccc23)CC1
InChIInChI=1S/C23H29F3N4O/c24-23(25,26)19-6-7-20(18-5-4-10-27-21(18)19)30-14-8-17(9-15-30)22(31)28-11-16-29-12-2-1-3-13-29/h4-7,10,17H,1-3,8-9,11-16H2,(H,28,31)
InChIKeyAGERCVDUQSRJAM-UHFFFAOYSA-N
MW434.51 g/mol
LogP4.07
Rot. Bonds5

About N-(2-piperidin-1-ylethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxamide

N-(2-piperidin-1-ylethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxamide (PubChem CID 129266606) has the molecular formula C23H29F3N4O and a molecular weight of 434.51 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxamide
PubChem CID129266606
Molecular FormulaC23H29F3N4O
Molecular Weight434.51 g/mol
Exact Mass434.23
IUPAC NameN-(2-piperidin-1-ylethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxamide
SMILESO=C(NCCN1CCCCC1)C1CCN(c2ccc(C(F)(F)F)c3ncccc23)CC1
InChIInChI=1S/C23H29F3N4O/c24-23(25,26)19-6-7-20(18-5-4-10-27-21(18)19)30-14-8-17(9-15-30)22(31)28-11-16-29-12-2-1-3-13-29/h4-7,10,17H,1-3,8-9,11-16H2,(H,28,31)
InChIKeyAGERCVDUQSRJAM-UHFFFAOYSA-N
XLogP4.07
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-piperidin-1-ylethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxamide (CID 129266606) is N-(2-piperidin-1-ylethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxamide is O=C(NCCN1CCCCC1)C1CCN(c2ccc(C(F)(F)F)c3ncccc23)CC1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxamide?
The InChIKey is AGERCVDUQSRJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N4O/c24-23(25,26)19-6-7-20(18-5-4-10-27-21(18)19)30-14-8-17(9-15-30)22(31)28-11-16-29-12-2-1-3-13-29/h4-7,10,17H,1-3,8-9,11-16H2,(H,28,31).
What are the key properties of N-(2-piperidin-1-ylethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxamide?
N-(2-piperidin-1-ylethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxamide has a molecular weight of 434.51 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-1-[8-(trifluoromethyl)quinolin-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 129266606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).