N-(4-methoxy-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide

C25H34N4O3 — CID 45194231

IUPACN-(4-methoxy-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC(N3CCN(c4ccccc4OC)CC3)C2)c(C)c1
InChIInChI=1S/C25H34N4O3/c1-19-17-21(31-2)10-11-22(19)26-25(30)29-12-6-7-20(18-29)27-13-15-28(16-14-27)23-8-4-5-9-24(23)32-3/h4-5,8-11,17,20H,6-7,12-16,18H2,1-3H3,(H,26,30)
InChIKeyWKYYZXWSHNGVED-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.83
Rot. Bonds5

About N-(4-methoxy-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide

N-(4-methoxy-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide (PubChem CID 45194231) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide
PubChem CID45194231
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC NameN-(4-methoxy-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCC(N3CCN(c4ccccc4OC)CC3)C2)c(C)c1
InChIInChI=1S/C25H34N4O3/c1-19-17-21(31-2)10-11-22(19)26-25(30)29-12-6-7-20(18-29)27-13-15-28(16-14-27)23-8-4-5-9-24(23)32-3/h4-5,8-11,17,20H,6-7,12-16,18H2,1-3H3,(H,26,30)
InChIKeyWKYYZXWSHNGVED-UHFFFAOYSA-N
XLogP3.83
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxy-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-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

1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 24719056
cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24719059
cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42567976
(3S)-3-amino-N-(4-methoxy-2-methylphenyl)piperidine-1-carboxamide
CID 125179914
(1,5-dimethylpyrazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 45181195
[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 42101485
(4-methoxyphenyl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42855201
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 45175750
(2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288079
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone
CID 24793253
(Z)-2-fluoro-1-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 42532617
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide (CID 45194231) is N-(4-methoxy-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCCC(N3CCN(c4ccccc4OC)CC3)C2)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide?
The InChIKey is WKYYZXWSHNGVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c1-19-17-21(31-2)10-11-22(19)26-25(30)29-12-6-7-20(18-29)27-13-15-28(16-14-27)23-8-4-5-9-24(23)32-3/h4-5,8-11,17,20H,6-7,12-16,18H2,1-3H3,(H,26,30).
What are the key properties of N-(4-methoxy-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide?
N-(4-methoxy-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 45194231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).