N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C20H35N3O3 — CID 124727432

IUPACN-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESC[C@@](O)(CNC(=O)C1CCN(C(=O)N2CCCC2)CC1)C1CCCCC1
InChIInChI=1S/C20H35N3O3/c1-20(26,17-7-3-2-4-8-17)15-21-18(24)16-9-13-23(14-10-16)19(25)22-11-5-6-12-22/h16-17,26H,2-15H2,1H3,(H,21,24)/t20-/m1/s1
InChIKeyCYFUHFZEBWLPMM-HXUWFJFHSA-N
MW365.52 g/mol
LogP2.36
Rot. Bonds4

About N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 124727432) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID124727432
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC NameN-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESC[C@@](O)(CNC(=O)C1CCN(C(=O)N2CCCC2)CC1)C1CCCCC1
InChIInChI=1S/C20H35N3O3/c1-20(26,17-7-3-2-4-8-17)15-21-18(24)16-9-13-23(14-10-16)19(25)22-11-5-6-12-22/h16-17,26H,2-15H2,1H3,(H,21,24)/t20-/m1/s1
InChIKeyCYFUHFZEBWLPMM-HXUWFJFHSA-N
XLogP2.36
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-2-hydroxy-2-methyl-N-[3-[(5-methylpiperidin-2-yl)amino]propyl]propanamide
CID 176596616
N-butyl-1-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
CID 111105647
N-[(1-hydroxycycloheptyl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 111433256
1-butanoyl-N-[(1-hydroxycycloheptyl)methyl]piperidine-4-carboxamide
CID 111433280
4-N-(2-cyclohexyl-2-hydroxypropyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 119048229
N-(2-cyclohexyl-2-hydroxypropyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 119048231
N-(2-cyclohexyl-2-hydroxypropyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 119048232
N-(2-cyclohexyl-2-hydroxypropyl)-1-methylpiperidine-4-carboxamide
CID 119048240
1-acetyl-N-(2-cyclohexyl-2-hydroxypropyl)piperidine-4-carboxamide
CID 119048245
N-[(2R)-2-cyclohexyl-2-hydroxypropyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 124727431
N-[(2R)-2-cyclohexyl-2-hydroxypropyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 124732317
N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 124732318

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 124727432) is N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is C[C@@](O)(CNC(=O)C1CCN(C(=O)N2CCCC2)CC1)C1CCCCC1.
What is the InChIKey of N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is CYFUHFZEBWLPMM-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H35N3O3/c1-20(26,17-7-3-2-4-8-17)15-21-18(24)16-9-13-23(14-10-16)19(25)22-11-5-6-12-22/h16-17,26H,2-15H2,1H3,(H,21,24)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclohexyl-2-hydroxypropyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 124727432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).