2-butyl-5-(piperazin-1-ylmethyl)benzamide

C16H25N3O — CID 174560314

IUPAC2-butyl-5-(piperazin-1-ylmethyl)benzamide
SMILESCCCCc1ccc(CN2CCNCC2)cc1C(N)=O
InChIInChI=1S/C16H25N3O/c1-2-3-4-14-6-5-13(11-15(14)16(17)20)12-19-9-7-18-8-10-19/h5-6,11,18H,2-4,7-10,12H2,1H3,(H2,17,20)
InChIKeyLDKZNPWQVHTYBX-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.53
Rot. Bonds6

About 2-butyl-5-(piperazin-1-ylmethyl)benzamide

2-butyl-5-(piperazin-1-ylmethyl)benzamide (PubChem CID 174560314) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-butyl-5-(piperazin-1-ylmethyl)benzamide.

Molecular Properties

Compound Name2-butyl-5-(piperazin-1-ylmethyl)benzamide
PubChem CID174560314
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-butyl-5-(piperazin-1-ylmethyl)benzamide
SMILESCCCCc1ccc(CN2CCNCC2)cc1C(N)=O
InChIInChI=1S/C16H25N3O/c1-2-3-4-14-6-5-13(11-15(14)16(17)20)12-19-9-7-18-8-10-19/h5-6,11,18H,2-4,7-10,12H2,1H3,(H2,17,20)
InChIKeyLDKZNPWQVHTYBX-UHFFFAOYSA-N
XLogP1.53
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-2-fluoro-3-(piperazin-1-ylmethyl)benzamide
CID 174602337
1-[(4-ethyl-3-fluorophenyl)methyl]piperazine
CID 122519320
6-methyl-3-pentyl-5-[[4-(piperazin-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 167157088
2-(4-butylphenyl)-1-piperazin-1-ylethanone;hydrochloride
CID 119403589
N-carbamothioyl-2-[3-(piperazin-1-ylmethyl)phenyl]acetamide
CID 118374362
2-butylbenzamide
CID 15468173
2-(4-butylphenyl)-2-piperazin-1-ylacetamide
CID 70044292
[2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine
CID 84754915
5-(piperazin-1-ylmethyl)-2-(trifluoromethyl)benzohydrazide
CID 151099376
ethyl 2,5-dibutylbenzoate
CID 166059942
ethyl 4-(1,4,7-triazonan-1-ylmethyl)benzoate
CID 165144357
1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
CID 39364163

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-(piperazin-1-ylmethyl)benzamide?
The IUPAC name of 2-butyl-5-(piperazin-1-ylmethyl)benzamide (CID 174560314) is 2-butyl-5-(piperazin-1-ylmethyl)benzamide.
What is the SMILES notation for 2-butyl-5-(piperazin-1-ylmethyl)benzamide?
The canonical SMILES for 2-butyl-5-(piperazin-1-ylmethyl)benzamide is CCCCc1ccc(CN2CCNCC2)cc1C(N)=O.
What is the InChIKey of 2-butyl-5-(piperazin-1-ylmethyl)benzamide?
The InChIKey is LDKZNPWQVHTYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-3-4-14-6-5-13(11-15(14)16(17)20)12-19-9-7-18-8-10-19/h5-6,11,18H,2-4,7-10,12H2,1H3,(H2,17,20).
What are the key properties of 2-butyl-5-(piperazin-1-ylmethyl)benzamide?
2-butyl-5-(piperazin-1-ylmethyl)benzamide has a molecular weight of 275.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-(piperazin-1-ylmethyl)benzamide is sourced from PubChem (CID 174560314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).