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

C14H21N3O3 — CID 95483224

IUPACN-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCNCC2)cc1OC
InChIInChI=1S/C14H21N3O3/c1-19-12-4-3-11(9-13(12)20-2)10-16-14(18)17-7-5-15-6-8-17/h3-4,9,15H,5-8,10H2,1-2H3,(H,16,18)
InChIKeyPOEXLXJZWOCPMB-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.82
Rot. Bonds4

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

N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 95483224) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID95483224
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCNCC2)cc1OC
InChIInChI=1S/C14H21N3O3/c1-19-12-4-3-11(9-13(12)20-2)10-16-14(18)17-7-5-15-6-8-17/h3-4,9,15H,5-8,10H2,1-2H3,(H,16,18)
InChIKeyPOEXLXJZWOCPMB-UHFFFAOYSA-N
XLogP0.82
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
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-(2,5-dioxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 121160487
N-[(4-hydroxy-3-methoxyphenyl)methyl]azocane-1-carboxamide
CID 121497136
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-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 79155782
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]piperazine-1-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide (CID 95483224) is N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide is COc1ccc(CNC(=O)N2CCNCC2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is POEXLXJZWOCPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-19-12-4-3-11(9-13(12)20-2)10-16-14(18)17-7-5-15-6-8-17/h3-4,9,15H,5-8,10H2,1-2H3,(H,16,18).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 95483224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).