4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide

C26H34N4O4 — CID 55928870

IUPAC4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
SMILESCOc1cc(C(=O)N2CCN(C(=O)NCc3ccc(C(=O)N(C)C(C)C)cc3)CC2)ccc1C
InChIInChI=1S/C26H34N4O4/c1-18(2)28(4)24(31)21-10-7-20(8-11-21)17-27-26(33)30-14-12-29(13-15-30)25(32)22-9-6-19(3)23(16-22)34-5/h6-11,16,18H,12-15,17H2,1-5H3,(H,27,33)
InChIKeyUXQCNVRDQLRAKV-UHFFFAOYSA-N
MW466.58 g/mol
LogP3.15
Rot. Bonds6

About 4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide

4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide (PubChem CID 55928870) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
PubChem CID55928870
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
SMILESCOc1cc(C(=O)N2CCN(C(=O)NCc3ccc(C(=O)N(C)C(C)C)cc3)CC2)ccc1C
InChIInChI=1S/C26H34N4O4/c1-18(2)28(4)24(31)21-10-7-20(8-11-21)17-27-26(33)30-14-12-29(13-15-30)25(32)22-9-6-19(3)23(16-22)34-5/h6-11,16,18H,12-15,17H2,1-5H3,(H,27,33)
InChIKeyUXQCNVRDQLRAKV-UHFFFAOYSA-N
XLogP3.15
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110365684
2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 55709108
N-[(4-fluorophenyl)methyl]-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 60512190
1-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 119736818
4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
CID 55794432
4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812267
N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 60570389
4-(4-chlorophenyl)sulfonyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
CID 55794689
(2S)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 124686905
4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide
CID 55922461
[4-(3,5-difluorobenzoyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 55808045
[4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 142332387

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide (CID 55928870) is 4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide is COc1cc(C(=O)N2CCN(C(=O)NCc3ccc(C(=O)N(C)C(C)C)cc3)CC2)ccc1C.
What is the InChIKey of 4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is UXQCNVRDQLRAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-18(2)28(4)24(31)21-10-7-20(8-11-21)17-27-26(33)30-14-12-29(13-15-30)25(32)22-9-6-19(3)23(16-22)34-5/h6-11,16,18H,12-15,17H2,1-5H3,(H,27,33).
What are the key properties of 4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide?
4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 466.58 g/mol, XLogP of 3.15, 6 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-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 55928870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).