4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride

C20H31ClN2O2 — CID 119770587

IUPAC4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCC2(c3cccc(C)c3)CCCC2)CCNCC1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-16-6-5-7-17(14-16)19(8-3-4-9-19)15-22-18(23)20(24-2)10-12-21-13-11-20;/h5-7,14,21H,3-4,8-13,15H2,1-2H3,(H,22,23);1H
InChIKeyBOFQGOXWKTTWBM-UHFFFAOYSA-N
MW366.93 g/mol
LogP3.11
Rot. Bonds5

About 4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride

4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119770587) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is 4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119770587
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC Name4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)NCC2(c3cccc(C)c3)CCCC2)CCNCC1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-16-6-5-7-17(14-16)19(8-3-4-9-19)15-22-18(23)20(24-2)10-12-21-13-11-20;/h5-7,14,21H,3-4,8-13,15H2,1-2H3,(H,22,23);1H
InChIKeyBOFQGOXWKTTWBM-UHFFFAOYSA-N
XLogP3.11
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(1-phenylcyclobutyl)methyl]piperidine-4-carboxamide
CID 119699113
N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119786297
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119769965
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 120888205
4-methoxy-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119820136
4-methoxy-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 119793204
3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
N-[[1-(3-methylphenyl)cyclopentyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119770594
4-methoxy-N-[(4-methyl-2-methylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119811691
4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120560680
7-amino-N-[[1-(3-methylphenyl)cyclopentyl]methyl]heptanamide;hydrochloride
CID 119770559
1-[(4-hydroxyoxan-4-yl)methyl]-3-[[1-(3-methylphenyl)cyclopentyl]methyl]urea
CID 110936718

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride (CID 119770587) is 4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride is COC1(C(=O)NCC2(c3cccc(C)c3)CCCC2)CCNCC1.Cl.
What is the InChIKey of 4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is BOFQGOXWKTTWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2.ClH/c1-16-6-5-7-17(14-16)19(8-3-4-9-19)15-22-18(23)20(24-2)10-12-21-13-11-20;/h5-7,14,21H,3-4,8-13,15H2,1-2H3,(H,22,23);1H.
What are the key properties of 4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride?
4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 366.93 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119770587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).