N-[(2S)-2-cyclopentyl-2-phenylethyl]-4-[(dimethylamino)methyl]-4-hydroxypiperidine-1-carboxamide

C22H35N3O2 — CID 125437167

IUPACN-[(2S)-2-cyclopentyl-2-phenylethyl]-4-[(dimethylamino)methyl]-4-hydroxypiperidine-1-carboxamide
SMILESCN(C)CC1(O)CCN(C(=O)NC[C@H](c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C22H35N3O2/c1-24(2)17-22(27)12-14-25(15-13-22)21(26)23-16-20(19-10-6-7-11-19)18-8-4-3-5-9-18/h3-5,8-9,19-20,27H,6-7,10-17H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyLHKVEZMPQUSZMS-HXUWFJFHSA-N
MW373.54 g/mol
LogP3.06
Rot. Bonds6

About N-[(2S)-2-cyclopentyl-2-phenylethyl]-4-[(dimethylamino)methyl]-4-hydroxypiperidine-1-carboxamide

N-[(2S)-2-cyclopentyl-2-phenylethyl]-4-[(dimethylamino)methyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 125437167) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is N-[(2S)-2-cyclopentyl-2-phenylethyl]-4-[(dimethylamino)methyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopentyl-2-phenylethyl]-4-[(dimethylamino)methyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID125437167
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC NameN-[(2S)-2-cyclopentyl-2-phenylethyl]-4-[(dimethylamino)methyl]-4-hydroxypiperidine-1-carboxamide
SMILESCN(C)CC1(O)CCN(C(=O)NC[C@H](c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C22H35N3O2/c1-24(2)17-22(27)12-14-25(15-13-22)21(26)23-16-20(19-10-6-7-11-19)18-8-4-3-5-9-18/h3-5,8-9,19-20,27H,6-7,10-17H2,1-2H3,(H,23,26)/t20-/m1/s1
InChIKeyLHKVEZMPQUSZMS-HXUWFJFHSA-N
XLogP3.06
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-cyclopentyl-2-phenylethyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 137167987
1-[(2R)-2-cyclopentyl-2-phenylethyl]-3-(1,3-dihydroxypropan-2-yl)urea
CID 125444168
4-(cyclobutanecarbonyl)-N-(2-phenylpropyl)piperazine-1-carboxamide
CID 119068329
(3R)-3-[(dimethylamino)methyl]-1-(2,2-diphenylethyl)pyrrolidin-3-ol
CID 95889349
2-cycloheptyl-N-methyl-2-phenylethanamine
CID 82934094
benzyl N-[4-[(dimethylamino)methyl]-4-hydroxycyclohexyl]carbamate
CID 134282830
N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide
CID 86880652
4-cyclohexyl-N-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]piperazine-1-carboxamide
CID 125448609
N-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide
CID 86999382
1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 95543173
N-(2,2-diphenylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110895013
N-(2-cyclopentyl-2-phenylethyl)-2-methylpropan-1-amine
CID 82934095

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopentyl-2-phenylethyl]-4-[(dimethylamino)methyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[(2S)-2-cyclopentyl-2-phenylethyl]-4-[(dimethylamino)methyl]-4-hydroxypiperidine-1-carboxamide (CID 125437167) is N-[(2S)-2-cyclopentyl-2-phenylethyl]-4-[(dimethylamino)methyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyclopentyl-2-phenylethyl]-4-[(dimethylamino)methyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[(2S)-2-cyclopentyl-2-phenylethyl]-4-[(dimethylamino)methyl]-4-hydroxypiperidine-1-carboxamide is CN(C)CC1(O)CCN(C(=O)NC[C@H](c2ccccc2)C2CCCC2)CC1.
What is the InChIKey of N-[(2S)-2-cyclopentyl-2-phenylethyl]-4-[(dimethylamino)methyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is LHKVEZMPQUSZMS-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-24(2)17-22(27)12-14-25(15-13-22)21(26)23-16-20(19-10-6-7-11-19)18-8-4-3-5-9-18/h3-5,8-9,19-20,27H,6-7,10-17H2,1-2H3,(H,23,26)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopentyl-2-phenylethyl]-4-[(dimethylamino)methyl]-4-hydroxypiperidine-1-carboxamide?
N-[(2S)-2-cyclopentyl-2-phenylethyl]-4-[(dimethylamino)methyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 373.54 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopentyl-2-phenylethyl]-4-[(dimethylamino)methyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 125437167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).