N-(2-benzylbutyl)piperazine-1-carboxamide

C16H25N3O — CID 131936268

IUPACN-(2-benzylbutyl)piperazine-1-carboxamide
SMILESCCC(CNC(=O)N1CCNCC1)Cc1ccccc1
InChIInChI=1S/C16H25N3O/c1-2-14(12-15-6-4-3-5-7-15)13-18-16(20)19-10-8-17-9-11-19/h3-7,14,17H,2,8-13H2,1H3,(H,18,20)
InChIKeyKWCNCCMPDFKGRL-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.87
Rot. Bonds5

About N-(2-benzylbutyl)piperazine-1-carboxamide

N-(2-benzylbutyl)piperazine-1-carboxamide (PubChem CID 131936268) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(2-benzylbutyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-benzylbutyl)piperazine-1-carboxamide
PubChem CID131936268
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(2-benzylbutyl)piperazine-1-carboxamide
SMILESCCC(CNC(=O)N1CCNCC1)Cc1ccccc1
InChIInChI=1S/C16H25N3O/c1-2-14(12-15-6-4-3-5-7-15)13-18-16(20)19-10-8-17-9-11-19/h3-7,14,17H,2,8-13H2,1H3,(H,18,20)
InChIKeyKWCNCCMPDFKGRL-UHFFFAOYSA-N
XLogP1.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(piperazine-1-carbonylamino)methyl]pentanoic acid
CID 81069478
(2R)-2-benzyl-3-methyl-1-piperazin-1-ylpentan-1-one
CID 170050740
S-[3-phenyl-2-(piperazine-1-carbonylamino)propyl] ethanethioate
CID 22905495
3-phenyl-1-piperazin-1-yl-2-sulfanylpropan-1-one
CID 82511771
N-ethylpiperazine-1-carboxamide
CID 9207783
N-[(2R)-2-benzylbutyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 95554605
2,3-diphenyl-1-piperazin-1-ylpropan-1-one
CID 57105688
N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide
CID 119400548
N-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide
CID 131949973
1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111102261
(2S)-3-phenyl-2-(piperazin-1-ylamino)propanoic acid
CID 69080253
N-(1-phenylethyl)piperazine-1-carboxamide
CID 22011928

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylbutyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-benzylbutyl)piperazine-1-carboxamide (CID 131936268) is N-(2-benzylbutyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-benzylbutyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-benzylbutyl)piperazine-1-carboxamide is CCC(CNC(=O)N1CCNCC1)Cc1ccccc1.
What is the InChIKey of N-(2-benzylbutyl)piperazine-1-carboxamide?
The InChIKey is KWCNCCMPDFKGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-14(12-15-6-4-3-5-7-15)13-18-16(20)19-10-8-17-9-11-19/h3-7,14,17H,2,8-13H2,1H3,(H,18,20).
What are the key properties of N-(2-benzylbutyl)piperazine-1-carboxamide?
N-(2-benzylbutyl)piperazine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylbutyl)piperazine-1-carboxamide is sourced from PubChem (CID 131936268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).