N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride

C18H27ClN2O3 — CID 119286963

IUPACN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(OC)c(CN(C(=O)C2CCNCC2)C2CC2)c1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-22-16-5-6-17(23-2)14(11-16)12-20(15-3-4-15)18(21)13-7-9-19-10-8-13;/h5-6,11,13,15,19H,3-4,7-10,12H2,1-2H3;1H
InChIKeyMLOSFWCOTXAQGI-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.62
Rot. Bonds6

About N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride

N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119286963) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119286963
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC NameN-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOc1ccc(OC)c(CN(C(=O)C2CCNCC2)C2CC2)c1.Cl
InChIInChI=1S/C18H26N2O3.ClH/c1-22-16-5-6-17(23-2)14(11-16)12-20(15-3-4-15)18(21)13-7-9-19-10-8-13;/h5-6,11,13,15,19H,3-4,7-10,12H2,1-2H3;1H
InChIKeyMLOSFWCOTXAQGI-UHFFFAOYSA-N
XLogP2.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119719111
9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985463
(2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119286967
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2-ethoxyacetamide
CID 52574681
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119286973
2-(2,5-dimethoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552036
N-cyclopentyl-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-4-carboxamide
CID 119317916
N-cyclopropyl-1-(2,5-difluorophenyl)sulfonyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 33081307
(2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621348
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 33078186
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
4-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]pentanamide
CID 120560197

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 119286963) is N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride is COc1ccc(OC)c(CN(C(=O)C2CCNCC2)C2CC2)c1.Cl.
What is the InChIKey of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is MLOSFWCOTXAQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3.ClH/c1-22-16-5-6-17(23-2)14(11-16)12-20(15-3-4-15)18(21)13-7-9-19-10-8-13;/h5-6,11,13,15,19H,3-4,7-10,12H2,1-2H3;1H.
What are the key properties of N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119286963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).