N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxamide

C26H34ClN3O2 — CID 129105204

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H34ClN3O2/c27-24-8-6-23(7-9-24)26(32)13-18-30(19-14-26)25(31)28-15-10-21-11-16-29(17-12-21)20-22-4-2-1-3-5-22/h1-9,21,32H,10-20H2,(H,28,31)
InChIKeyNGENIMRJRKCYAM-UHFFFAOYSA-N
MW456.03 g/mol
LogP4.64
Rot. Bonds6

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxamide

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxamide (PubChem CID 129105204) has the molecular formula C26H34ClN3O2 and a molecular weight of 456.03 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
PubChem CID129105204
Molecular FormulaC26H34ClN3O2
Molecular Weight456.03 g/mol
Exact Mass455.23
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C26H34ClN3O2/c27-24-8-6-23(7-9-24)26(32)13-18-30(19-14-26)25(31)28-15-10-21-11-16-29(17-12-21)20-22-4-2-1-3-5-22/h1-9,21,32H,10-20H2,(H,28,31)
InChIKeyNGENIMRJRKCYAM-UHFFFAOYSA-N
XLogP4.64
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.03
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
CID 57888993
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-piperidin-4-yl-urea
CID 9959839
1-(1-Benzyl-piperidin-4-yl)-3-{5-[4-(4-chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-urea
CID 10974378
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-(3-hydroxy-propyl)-urea
CID 10995218
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-(4-hydroxy-butyl)-urea
CID 10995329
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-(2-piperidin-1-yl-ethyl)-urea
CID 11104005
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-(2-dimethylamino-ethyl)-urea
CID 11813735
4-benzyl-N-(2,4-dichlorobenzyl)-4-hydroxypiperidine-1-carboxamide
CID 24748090
N-(2,4-dichlorobenzyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide
CID 24748125
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-methyl-urea
CID 11049424
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-isopropyl-urea
CID 11060510
4-(3-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-ureido)-piperidine-1-carboxylic acid methyl ester
CID 11072275

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxamide (CID 129105204) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxamide is O=C(NCCC1CCN(Cc2ccccc2)CC1)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxamide?
The InChIKey is NGENIMRJRKCYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O2/c27-24-8-6-23(7-9-24)26(32)13-18-30(19-14-26)25(31)28-15-10-21-11-16-29(17-12-21)20-22-4-2-1-3-5-22/h1-9,21,32H,10-20H2,(H,28,31).
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxamide?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxamide has a molecular weight of 456.03 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 129105204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).