N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide

C23H29N3O2 — CID 91832262

IUPACN-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C23H29N3O2/c27-21-17-26(16-19-10-4-7-14-24-19)15-11-20(21)25-22(28)23(12-5-6-13-23)18-8-2-1-3-9-18/h1-4,7-10,14,20-21,27H,5-6,11-13,15-17H2,(H,25,28)/t20-,21-/m1/s1
InChIKeyCSQVLZDVGSEICY-NHCUHLMSSA-N
MW379.50 g/mol
LogP2.64
Rot. Bonds5

About N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide

N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 91832262) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide
PubChem CID91832262
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C23H29N3O2/c27-21-17-26(16-19-10-4-7-14-24-19)15-11-20(21)25-22(28)23(12-5-6-13-23)18-8-2-1-3-9-18/h1-4,7-10,14,20-21,27H,5-6,11-13,15-17H2,(H,25,28)/t20-,21-/m1/s1
InChIKeyCSQVLZDVGSEICY-NHCUHLMSSA-N
XLogP2.64
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 91843528
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 91830426
5-chloro-N-[(3S,4S)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 164642664
2-chloro-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-methylbenzamide
CID 91841222
1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111422950
3-ethoxy-N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 91834182
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-[methyl(methylsulfonyl)amino]propanamide
CID 91837997
1-(4-chlorophenyl)-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 25288199
(3R,4R)-4-(1,4-dithiepan-6-ylamino)-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 91830913
1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea
CID 95629029
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 91839977
methyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate
CID 91653500

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide (CID 91832262) is N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide is O=C(N[C@@H]1CCN(Cc2ccccn2)C[C@H]1O)C1(c2ccccc2)CCCC1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is CSQVLZDVGSEICY-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-21-17-26(16-19-10-4-7-14-24-19)15-11-20(21)25-22(28)23(12-5-6-13-23)18-8-2-1-3-9-18/h1-4,7-10,14,20-21,27H,5-6,11-13,15-17H2,(H,25,28)/t20-,21-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide?
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 91832262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).