4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide

C24H31N3O4 — CID 55922461

IUPAC4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1cc(C(=O)N2CCN(C(=O)NC(C)c3cc(C)ccc3OC)CC2)ccc1C
InChIInChI=1S/C24H31N3O4/c1-16-6-9-21(30-4)20(14-16)18(3)25-24(29)27-12-10-26(11-13-27)23(28)19-8-7-17(2)22(15-19)31-5/h6-9,14-15,18H,10-13H2,1-5H3,(H,25,29)
InChIKeyMFPOQCUHVAJLDC-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.55
Rot. Bonds5

About 4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide

4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 55922461) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide
PubChem CID55922461
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1cc(C(=O)N2CCN(C(=O)NC(C)c3cc(C)ccc3OC)CC2)ccc1C
InChIInChI=1S/C24H31N3O4/c1-16-6-9-21(30-4)20(14-16)18(3)25-24(29)27-12-10-26(11-13-27)23(28)19-8-7-17(2)22(15-19)31-5/h6-9,14-15,18H,10-13H2,1-5H3,(H,25,29)
InChIKeyMFPOQCUHVAJLDC-UHFFFAOYSA-N
XLogP3.55
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-phenylpiperazine-1-carboxamide
CID 51291225
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxamide;hydrochloride
CID 55472747
4-benzoyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-1-carboxamide
CID 42935380
(2S)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 124686905
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
1-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119736818
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
[4-(3,5-difluorobenzoyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 55808045
cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone
CID 38391613
4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
CID 55928870
methyl 4-(4-methoxy-3-propan-2-ylbenzoyl)piperazine-1-carboxylate
CID 110803260
(3,4-dimethoxyphenyl)-[4-(2,5-dimethylanilino)piperidin-1-yl]methanone
CID 3373464

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide (CID 55922461) is 4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide is COc1cc(C(=O)N2CCN(C(=O)NC(C)c3cc(C)ccc3OC)CC2)ccc1C.
What is the InChIKey of 4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is MFPOQCUHVAJLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-16-6-9-21(30-4)20(14-16)18(3)25-24(29)27-12-10-26(11-13-27)23(28)19-8-7-17(2)22(15-19)31-5/h6-9,14-15,18H,10-13H2,1-5H3,(H,25,29).
What are the key properties of 4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide?
4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 55922461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).