(2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide

C17H27N3O2 — CID 97331505

IUPAC(2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC[C@H]2CCN(C)C)cc1
InChIInChI=1S/C17H27N3O2/c1-19(2)13-11-15-6-4-5-12-20(15)17(21)18-14-7-9-16(22-3)10-8-14/h7-10,15H,4-6,11-13H2,1-3H3,(H,18,21)/t15-/m0/s1
InChIKeyPIMDOPIDIKHJGB-HNNXBMFYSA-N
MW305.42 g/mol
LogP3.03
Rot. Bonds5

About (2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide

(2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 97331505) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
PubChem CID97331505
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC[C@H]2CCN(C)C)cc1
InChIInChI=1S/C17H27N3O2/c1-19(2)13-11-15-6-4-5-12-20(15)17(21)18-14-7-9-16(22-3)10-8-14/h7-10,15H,4-6,11-13H2,1-3H3,(H,18,21)/t15-/m0/s1
InChIKeyPIMDOPIDIKHJGB-HNNXBMFYSA-N
XLogP3.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-2-(2-pyridin-3-ylethyl)piperidine-1-carboxamide
CID 161443494
(2R)-N-(4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 94821286
[(2S)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 95851475
3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62217135
2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
CID 51134992
(2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95708222
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 51107826
(2R)-N-(4-chlorophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 40622393
(2S)-N-(2-fluoro-4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
CID 126430817
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
2-[1-[(4-butylphenyl)carbamoyl]piperidin-2-yl]ethyl N-[3-(dimethylamino)propyl]carbamate
CID 54170141

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide (CID 97331505) is (2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCCC[C@H]2CCN(C)C)cc1.
What is the InChIKey of (2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is PIMDOPIDIKHJGB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-19(2)13-11-15-6-4-5-12-20(15)17(21)18-14-7-9-16(22-3)10-8-14/h7-10,15H,4-6,11-13H2,1-3H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide?
(2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 97331505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).