N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide

C21H25N3O4 — CID 110365684

IUPACN-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)NCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C21H25N3O4/c1-27-18-9-8-17(14-19(18)28-2)20(25)23-10-12-24(13-11-23)21(26)22-15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)
InChIKeyNZHHRZZXYOLRHS-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.37
Rot. Bonds5

About N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide

N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide (PubChem CID 110365684) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide
PubChem CID110365684
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide
SMILESCOc1ccc(C(=O)N2CCN(C(=O)NCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C21H25N3O4/c1-27-18-9-8-17(14-19(18)28-2)20(25)23-10-12-24(13-11-23)21(26)22-15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)
InChIKeyNZHHRZZXYOLRHS-UHFFFAOYSA-N
XLogP2.37
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436
N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 110363825
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
4-(3,4-dimethoxybenzoyl)-N-(3,3-diphenylpropyl)piperazine-1-carboxamide
CID 31990895
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
N-benzyl-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide
CID 23935697
N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide
CID 23855406
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 38198135
4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
CID 55928870
4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide
CID 110365652
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide (CID 110365684) is N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide is COc1ccc(C(=O)N2CCN(C(=O)NCc3ccccc3)CC2)cc1OC.
What is the InChIKey of N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide?
The InChIKey is NZHHRZZXYOLRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-18-9-8-17(14-19(18)28-2)20(25)23-10-12-24(13-11-23)21(26)22-15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,22,26).
What are the key properties of N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide?
N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 110365684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).