N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide

C24H30N4O4 — CID 55743164

IUPACN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3ccc(OC)c(N4CCCCC4=O)c3)CC2)cc1
InChIInChI=1S/C24H30N4O4/c1-31-20-9-7-19(8-10-20)26-13-15-27(16-14-26)24(30)25-18-6-11-22(32-2)21(17-18)28-12-4-3-5-23(28)29/h6-11,17H,3-5,12-16H2,1-2H3,(H,25,30)
InChIKeyLBVJTAPLPDMWMA-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.57
Rot. Bonds5

About N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide

N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 55743164) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
PubChem CID55743164
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)Nc3ccc(OC)c(N4CCCCC4=O)c3)CC2)cc1
InChIInChI=1S/C24H30N4O4/c1-31-20-9-7-19(8-10-20)26-13-15-27(16-14-26)24(30)25-18-6-11-22(32-2)21(17-18)28-12-4-3-5-23(28)29/h6-11,17H,3-5,12-16H2,1-2H3,(H,25,30)
InChIKeyLBVJTAPLPDMWMA-UHFFFAOYSA-N
XLogP3.57
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-(4-methoxyphenyl)thiourea
CID 43076215
4-[(2R)-1-hydroxybutan-2-yl]-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperazine-1-carboxamide
CID 95788878
4-(2,5-dimethylfuran-3-carbonyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperazine-1-carboxamide
CID 47050888
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 7687070
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55743294
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide
CID 30679370
1-(4-ethoxyphenyl)-3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]thiourea
CID 43076214
N-(3,4-dimethoxyphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986916
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-phenylthiourea
CID 55685050

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide (CID 55743164) is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)Nc3ccc(OC)c(N4CCCCC4=O)c3)CC2)cc1.
What is the InChIKey of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is LBVJTAPLPDMWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-31-20-9-7-19(8-10-20)26-13-15-27(16-14-26)24(30)25-18-6-11-22(32-2)21(17-18)28-12-4-3-5-23(28)29/h6-11,17H,3-5,12-16H2,1-2H3,(H,25,30).
What are the key properties of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide?
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 55743164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).