3-ethyl-N-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-3-phenylazetidine-1-carboxamide

C23H35N3O2 — CID 129348053

IUPAC3-ethyl-N-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-3-phenylazetidine-1-carboxamide
SMILESCCC1(c2ccccc2)CN(C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)C1
InChIInChI=1S/C23H35N3O2/c1-2-23(18-8-4-3-5-9-18)16-26(17-23)22(28)24-19-12-14-25(15-13-19)20-10-6-7-11-21(20)27/h3-5,8-9,19-21,27H,2,6-7,10-17H2,1H3,(H,24,28)/t20-,21-/m1/s1
InChIKeyZILJMXGQOWPHEA-NHCUHLMSSA-N
MW385.55 g/mol
LogP3.13
Rot. Bonds4

About 3-ethyl-N-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-3-phenylazetidine-1-carboxamide

3-ethyl-N-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-3-phenylazetidine-1-carboxamide (PubChem CID 129348053) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 3-ethyl-N-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-3-phenylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-3-phenylazetidine-1-carboxamide
PubChem CID129348053
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name3-ethyl-N-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-3-phenylazetidine-1-carboxamide
SMILESCCC1(c2ccccc2)CN(C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)C1
InChIInChI=1S/C23H35N3O2/c1-2-23(18-8-4-3-5-9-18)16-26(17-23)22(28)24-19-12-14-25(15-13-19)20-10-6-7-11-21(20)27/h3-5,8-9,19-21,27H,2,6-7,10-17H2,1H3,(H,24,28)/t20-,21-/m1/s1
InChIKeyZILJMXGQOWPHEA-NHCUHLMSSA-N
XLogP3.13
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(1R,4S,5S)-4-hydroxy-1-phenyl-5-pyrrolidin-1-ylcycloheptyl]methyl]propanamide
CID 110159901
N-[[(1R,4S,5S)-4-hydroxy-5-(4-hydroxypiperidin-1-yl)-1-phenylcycloheptyl]methyl]cyclopentanecarboxamide
CID 129455850
2-[(1R)-1-[[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]propyl]phenol
CID 99702928
2-cyclopentyl-N-[[(1R,4S,5S)-4-hydroxy-5-(4-hydroxypiperidin-1-yl)-1-phenylcycloheptyl]methyl]acetamide
CID 129459554
benzyl N-[2-[[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 97235279
trans-(1R,2R)-2-(4-methyl-4-phenylpiperidin-1-yl)cyclohexan-1-ol
CID 154763399
2-amino-N-[[(1R,4S,5S)-4-hydroxy-5-(4-hydroxypiperidin-1-yl)-1-phenylcycloheptyl]methyl]acetamide
CID 110160088
3-ethyl-N-(2-morpholin-4-ylethyl)-3-phenylazetidine-1-carboxamide
CID 138045017
N-[[(1R,4S,5S)-4-hydroxy-5-(4-methylpiperazin-1-yl)-1-phenylcycloheptyl]methyl]cyclobutanecarboxamide
CID 110159910
N-[[(1R,4S,5S)-4-hydroxy-5-(4-hydroxypiperidin-1-yl)-1-phenylcycloheptyl]methyl]-4-methylbenzamide
CID 110147321
N-[[(1R,4S,5S)-4-hydroxy-1-phenyl-5-pyrrolidin-1-ylcycloheptyl]methyl]-2-pyrrolidin-1-ylacetamide
CID 110159954
N-[[(1R,4S,5S)-4-hydroxy-5-(4-hydroxypiperidin-1-yl)-1-phenylcycloheptyl]methyl]-1-methylpyrrole-2-carboxamide
CID 129457742

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-3-phenylazetidine-1-carboxamide?
The IUPAC name of 3-ethyl-N-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-3-phenylazetidine-1-carboxamide (CID 129348053) is 3-ethyl-N-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-3-phenylazetidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-3-phenylazetidine-1-carboxamide?
The canonical SMILES for 3-ethyl-N-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-3-phenylazetidine-1-carboxamide is CCC1(c2ccccc2)CN(C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)C1.
What is the InChIKey of 3-ethyl-N-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-3-phenylazetidine-1-carboxamide?
The InChIKey is ZILJMXGQOWPHEA-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-2-23(18-8-4-3-5-9-18)16-26(17-23)22(28)24-19-12-14-25(15-13-19)20-10-6-7-11-21(20)27/h3-5,8-9,19-21,27H,2,6-7,10-17H2,1H3,(H,24,28)/t20-,21-/m1/s1.
What are the key properties of 3-ethyl-N-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-3-phenylazetidine-1-carboxamide?
3-ethyl-N-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-3-phenylazetidine-1-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-[(1R,2R)-2-hydroxycyclohexyl]piperidin-4-yl]-3-phenylazetidine-1-carboxamide is sourced from PubChem (CID 129348053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).