1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide

C19H30N2O3 — CID 1076473

IUPAC1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(Cc2cccc(OC)c2OC)CC1
InChIInChI=1S/C19H30N2O3/c1-5-21(6-2)19(22)15-10-12-20(13-11-15)14-16-8-7-9-17(23-3)18(16)24-4/h7-9,15H,5-6,10-14H2,1-4H3
InChIKeyYGHIEDWIVKYTLT-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.78
Rot. Bonds7

About 1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide

1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide (PubChem CID 1076473) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
PubChem CID1076473
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(Cc2cccc(OC)c2OC)CC1
InChIInChI=1S/C19H30N2O3/c1-5-21(6-2)19(22)15-10-12-20(13-11-15)14-16-8-7-9-17(23-3)18(16)24-4/h7-9,15H,5-6,10-14H2,1-4H3
InChIKeyYGHIEDWIVKYTLT-UHFFFAOYSA-N
XLogP2.78
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-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

1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid
CID 123132441
N-benzyl-N-ethyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 649006
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2,3-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 1071409
[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 2903445
N-benzyl-1-[(2,3-dimethoxyphenyl)methyl]-N-ethylpiperidin-4-amine;oxalic acid
CID 17369350
N-benzyl-N-butyl-1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 4255296
1-[[4-[(2,3-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-N,N-diethylpiperidine-3-carboxamide
CID 45182805
1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid
CID 2910657
N-benzyl-N-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3994256
1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17367093
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
1-[(2,4-dimethoxyphenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 3599917

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide (CID 1076473) is 1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(Cc2cccc(OC)c2OC)CC1.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide?
The InChIKey is YGHIEDWIVKYTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-5-21(6-2)19(22)15-10-12-20(13-11-15)14-16-8-7-9-17(23-3)18(16)24-4/h7-9,15H,5-6,10-14H2,1-4H3.
What are the key properties of 1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide?
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide is sourced from PubChem (CID 1076473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).