(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride

C16H25ClN2O3 — CID 119691813

IUPAC(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(OC)c(C(C)NC(=O)[C@@H]2CCCCN2)c1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-11(18-16(19)14-6-4-5-9-17-14)13-10-12(20-2)7-8-15(13)21-3;/h7-8,10-11,14,17H,4-6,9H2,1-3H3,(H,18,19);1H/t11?,14-;/m0./s1
InChIKeyDDMPCYPJODGLNG-WKRKBMNRSA-N
MW328.84 g/mol
LogP2.44
Rot. Bonds5

About (2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride

(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119691813) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is (2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119691813
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCOc1ccc(OC)c(C(C)NC(=O)[C@@H]2CCCCN2)c1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-11(18-16(19)14-6-4-5-9-17-14)13-10-12(20-2)7-8-15(13)21-3;/h7-8,10-11,14,17H,4-6,9H2,1-3H3,(H,18,19);1H/t11?,14-;/m0./s1
InChIKeyDDMPCYPJODGLNG-WKRKBMNRSA-N
XLogP2.44
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119292600
(2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119683030
(2S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273007
(2S)-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119292618
N-[1-(2,5-dimethoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119272421
(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81387712
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369
N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119272446
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide
CID 119324627
(2S)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119694047
(2R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119694031
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119287617

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride (CID 119691813) is (2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride is COc1ccc(OC)c(C(C)NC(=O)[C@@H]2CCCCN2)c1.Cl.
What is the InChIKey of (2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is DDMPCYPJODGLNG-WKRKBMNRSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-11(18-16(19)14-6-4-5-9-17-14)13-10-12(20-2)7-8-15(13)21-3;/h7-8,10-11,14,17H,4-6,9H2,1-3H3,(H,18,19);1H/t11?,14-;/m0./s1.
What are the key properties of (2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride?
(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119691813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).