N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride

C16H25ClN2O3 — CID 119272446

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(OC)c(C(C)NC(=O)C2CCCNC2)c1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-11(18-16(19)12-5-4-8-17-10-12)14-9-13(20-2)6-7-15(14)21-3;/h6-7,9,11-12,17H,4-5,8,10H2,1-3H3,(H,18,19);1H
InChIKeyIFEABMCAAGYZJH-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.30
Rot. Bonds5

About N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride

N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119272446) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119272446
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
SMILESCOc1ccc(OC)c(C(C)NC(=O)C2CCCNC2)c1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-11(18-16(19)12-5-4-8-17-10-12)14-9-13(20-2)6-7-15(14)21-3;/h6-7,9,11-12,17H,4-5,8,10H2,1-3H3,(H,18,19);1H
InChIKeyIFEABMCAAGYZJH-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81141408
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 119287258
(2S)-N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119691813
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43709600
(3S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81124863
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119287644
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119288176
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
N-[1-(4-methoxyphenyl)-2-methylpropyl]piperidine-3-carboxamide
CID 119273380
N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide
CID 43703441

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride (CID 119272446) is N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride is COc1ccc(OC)c(C(C)NC(=O)C2CCCNC2)c1.Cl.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is IFEABMCAAGYZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-11(18-16(19)12-5-4-8-17-10-12)14-9-13(20-2)6-7-15(14)21-3;/h6-7,9,11-12,17H,4-5,8,10H2,1-3H3,(H,18,19);1H.
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride?
N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119272446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).