N-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide

C17H27N3O — CID 82166284

IUPACN-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide
SMILESCC(C)CCNC(=O)c1cccc(CN2CCNCC2)c1
InChIInChI=1S/C17H27N3O/c1-14(2)6-7-19-17(21)16-5-3-4-15(12-16)13-20-10-8-18-9-11-20/h3-5,12,14,18H,6-11,13H2,1-2H3,(H,19,21)
InChIKeyVREHCEVQZNFHQK-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.87
Rot. Bonds6

About N-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide

N-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide (PubChem CID 82166284) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide
PubChem CID82166284
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide
SMILESCC(C)CCNC(=O)c1cccc(CN2CCNCC2)c1
InChIInChI=1S/C17H27N3O/c1-14(2)6-7-19-17(21)16-5-3-4-15(12-16)13-20-10-8-18-9-11-20/h3-5,12,14,18H,6-11,13H2,1-2H3,(H,19,21)
InChIKeyVREHCEVQZNFHQK-UHFFFAOYSA-N
XLogP1.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119497673
2-[3-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methylcarbamoyl]phenyl]acetic acid
CID 68892701
N-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119503445
3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 111123246
3-[(2,2-dimethylpropanoylamino)methyl]-N-(2-piperazin-1-ylethyl)benzamide
CID 138647753
N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119997738
3-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119393878
3-cyano-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
CID 11249473
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333
N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053540
N-[2-(ethylamino)ethyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119507486

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide?
The IUPAC name of N-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide (CID 82166284) is N-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide?
The canonical SMILES for N-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide is CC(C)CCNC(=O)c1cccc(CN2CCNCC2)c1.
What is the InChIKey of N-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide?
The InChIKey is VREHCEVQZNFHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(2)6-7-19-17(21)16-5-3-4-15(12-16)13-20-10-8-18-9-11-20/h3-5,12,14,18H,6-11,13H2,1-2H3,(H,19,21).
What are the key properties of N-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide?
N-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide has a molecular weight of 289.42 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(piperazin-1-ylmethyl)benzamide is sourced from PubChem (CID 82166284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).