N-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

C23H34N2O3 — CID 55967191

IUPACN-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCN(CC1CCCCC1)C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C23H34N2O3/c1-24(17-19-9-4-2-5-10-19)23(27)20-11-8-15-25(18-20)22(26)14-16-28-21-12-6-3-7-13-21/h3,6-7,12-13,19-20H,2,4-5,8-11,14-18H2,1H3
InChIKeyITVJPQQIWQXCRX-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.73
Rot. Bonds7

About N-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

N-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (PubChem CID 55967191) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
PubChem CID55967191
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC NameN-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCN(CC1CCCCC1)C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C23H34N2O3/c1-24(17-19-9-4-2-5-10-19)23(27)20-11-8-15-25(18-20)22(26)14-16-28-21-12-6-3-7-13-21/h3,6-7,12-13,19-20H,2,4-5,8-11,14-18H2,1H3
InChIKeyITVJPQQIWQXCRX-UHFFFAOYSA-N
XLogP3.73
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-phenoxypropanoyl)-N-piperidin-4-ylpiperidine-3-carboxamide
CID 119443941
N-methyl-1-(3-phenoxypropanoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55967324
N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55966797
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
1-[3-(4-aminopiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 119376198
3-[(3S)-1-(3-phenoxypropanoyl)piperidin-3-yl]propanoic acid
CID 124700081
N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553019
3-cyclohexyl-1-[4-(3-phenoxypropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547506
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
1-[3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 139006517
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 119469100

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (CID 55967191) is N-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is CN(CC1CCCCC1)C(=O)C1CCCN(C(=O)CCOc2ccccc2)C1.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The InChIKey is ITVJPQQIWQXCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-24(17-19-9-4-2-5-10-19)23(27)20-11-8-15-25(18-20)22(26)14-16-28-21-12-6-3-7-13-21/h3,6-7,12-13,19-20H,2,4-5,8-11,14-18H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
N-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55967191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).