N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide

C15H22N2O3 — CID 108896757

IUPACN-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C15H22N2O3/c1-19-13-7-6-12(10-14(13)20-2)11-16-15(18)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18)
InChIKeyJQKYJEFYBIGYQC-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.40
Rot. Bonds4

About N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 108896757) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID108896757
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C15H22N2O3/c1-19-13-7-6-12(10-14(13)20-2)11-16-15(18)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18)
InChIKeyJQKYJEFYBIGYQC-UHFFFAOYSA-N
XLogP2.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide
CID 121497136
N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 79155782
N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 95483224
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 38151892
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 38198135
N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 38202199
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 38210733
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 38153261
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113110019
N-[(3,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 9155543
N-[(5-amino-2-methoxyphenyl)methyl]azepane-1-carboxamide
CID 79153050
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-4-methylidenepiperidine-1-carboxamide
CID 138052960

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide (CID 108896757) is N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCCCC2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is JQKYJEFYBIGYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-13-7-6-12(10-14(13)20-2)11-16-15(18)17-8-4-3-5-9-17/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 108896757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).