1-(5-cyano-2-pyridinyl)-N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]piperidine-4-carboxamide

C26H33N5O2 — CID 162370343

IUPAC1-(5-cyano-2-pyridinyl)-N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)NCCC3CCN(Cc4ccc(O)cc4)CC3)CC2)nc1
InChIInChI=1S/C26H33N5O2/c27-17-22-3-6-25(29-18-22)31-15-10-23(11-16-31)26(33)28-12-7-20-8-13-30(14-9-20)19-21-1-4-24(32)5-2-21/h1-6,18,20,23,32H,7-16,19H2,(H,28,33)
InChIKeyGGQMIXZTPIKLKB-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.29
Rot. Bonds7

About 1-(5-cyano-2-pyridinyl)-N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]piperidine-4-carboxamide (PubChem CID 162370343) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]piperidine-4-carboxamide
PubChem CID162370343
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name1-(5-cyano-2-pyridinyl)-N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)NCCC3CCN(Cc4ccc(O)cc4)CC3)CC2)nc1
InChIInChI=1S/C26H33N5O2/c27-17-22-3-6-25(29-18-22)31-15-10-23(11-16-31)26(33)28-12-7-20-8-13-30(14-9-20)19-21-1-4-24(32)5-2-21/h1-6,18,20,23,32H,7-16,19H2,(H,28,33)
InChIKeyGGQMIXZTPIKLKB-UHFFFAOYSA-N
XLogP3.29
TPSA92.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-cyano-2-pyridinyl)-N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(5-cyano-2-pyridinyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 17492732
1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 46525465
1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 16597727
1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide
CID 51328372
1-(5-cyano-2-pyridinyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 51314226
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
1-(5-cyano-2-pyridinyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46434350
1-(5-cyano-2-pyridinyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-4-carboxamide
CID 46481936
1-(5-cyano-2-pyridinyl)-N-phenylmethoxypiperidine-4-carboxamide
CID 17468210
1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide
CID 155951044
1-(5-cyano-2-pyridinyl)-N-[2,2-difluoro-2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 155952974

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]piperidine-4-carboxamide (CID 162370343) is 1-(5-cyano-2-pyridinyl)-N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]piperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)NCCC3CCN(Cc4ccc(O)cc4)CC3)CC2)nc1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]piperidine-4-carboxamide?
The InChIKey is GGQMIXZTPIKLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O2/c27-17-22-3-6-25(29-18-22)31-15-10-23(11-16-31)26(33)28-12-7-20-8-13-30(14-9-20)19-21-1-4-24(32)5-2-21/h1-6,18,20,23,32H,7-16,19H2,(H,28,33).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 162370343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).