N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide

C20H23N3O2 — CID 23855406

IUPACN-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide
SMILESCc1cccc(C(=O)N2CCN(C(=O)NCc3ccccc3)CC2)c1
InChIInChI=1S/C20H23N3O2/c1-16-6-5-9-18(14-16)19(24)22-10-12-23(13-11-22)20(25)21-15-17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3,(H,21,25)
InChIKeyUMXUDPJIAWVKGN-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.66
Rot. Bonds3

About N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide

N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide (PubChem CID 23855406) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide
PubChem CID23855406
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide
SMILESCc1cccc(C(=O)N2CCN(C(=O)NCc3ccccc3)CC2)c1
InChIInChI=1S/C20H23N3O2/c1-16-6-5-9-18(14-16)19(24)22-10-12-23(13-11-22)20(25)21-15-17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3,(H,21,25)
InChIKeyUMXUDPJIAWVKGN-UHFFFAOYSA-N
XLogP2.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-acetamidobenzoyl)-N-benzylpiperazine-1-carboxamide
CID 110365652
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110365684
4-benzoyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
CID 9467071
N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113106580
1-[4-(3-methylbenzoyl)piperazin-1-yl]-5-phenylpentan-1-one
CID 110311046
N-benzyl-4-[2-(2,5-dimethylphenyl)acetyl]piperazine-1-carboxamide
CID 110812883
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
N-benzyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 23881003
N-benzyl-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide
CID 23935697
4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 87003706
N-[[4-(methylcarbamoyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 134006341

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide (CID 23855406) is N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide is Cc1cccc(C(=O)N2CCN(C(=O)NCc3ccccc3)CC2)c1.
What is the InChIKey of N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide?
The InChIKey is UMXUDPJIAWVKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-16-6-5-9-18(14-16)19(24)22-10-12-23(13-11-22)20(25)21-15-17-7-3-2-4-8-17/h2-9,14H,10-13,15H2,1H3,(H,21,25).
What are the key properties of N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide?
N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 23855406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).