N-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

C23H34N2O3 — CID 60553205

IUPACN-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCCC1CCCCC1NC(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C23H34N2O3/c1-2-18-9-6-7-13-21(18)24-23(27)19-10-8-15-25(17-19)22(26)14-16-28-20-11-4-3-5-12-20/h3-5,11-12,18-19,21H,2,6-10,13-17H2,1H3,(H,24,27)
InChIKeyKKLWFDOVUTTXAE-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.78
Rot. Bonds7

About N-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

N-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (PubChem CID 60553205) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
PubChem CID60553205
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC NameN-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCCC1CCCCC1NC(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C23H34N2O3/c1-2-18-9-6-7-13-21(18)24-23(27)19-10-8-15-25(17-19)22(26)14-16-28-20-11-4-3-5-12-20/h3-5,11-12,18-19,21H,2,6-10,13-17H2,1H3,(H,24,27)
InChIKeyKKLWFDOVUTTXAE-UHFFFAOYSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674902
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate
CID 47078434
(3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 52504687
N-[(2R)-2-(ethylamino)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 120651023
N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553985
(3S)-N-[2-(2,2-diethoxyethoxy)ethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 99797772
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
CID 84581076
1-(4-amino-3-ethylpiperidin-1-yl)-3-phenoxypropan-1-one
CID 81458301
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 120945996

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (CID 60553205) is N-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is CCC1CCCCC1NC(=O)C1CCCN(C(=O)CCOc2ccccc2)C1.
What is the InChIKey of N-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The InChIKey is KKLWFDOVUTTXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-2-18-9-6-7-13-21(18)24-23(27)19-10-8-15-25(17-19)22(26)14-16-28-20-11-4-3-5-12-20/h3-5,11-12,18-19,21H,2,6-10,13-17H2,1H3,(H,24,27).
What are the key properties of N-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
N-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 60553205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).