N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide

C18H27N3O2 — CID 109053540

IUPACN-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCC(C)CCNC(=O)c1cccc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C18H27N3O2/c1-14(2)7-8-19-17(22)15-5-4-6-16(13-15)18(23)21-11-9-20(3)10-12-21/h4-6,13-14H,7-12H2,1-3H3,(H,19,22)
InChIKeyGGSACNIHPYWUHZ-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.85
Rot. Bonds5

About N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide

N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide (PubChem CID 109053540) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
PubChem CID109053540
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCC(C)CCNC(=O)c1cccc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C18H27N3O2/c1-14(2)7-8-19-17(22)15-5-4-6-16(13-15)18(23)21-11-9-20(3)10-12-21/h4-6,13-14H,7-12H2,1-3H3,(H,19,22)
InChIKeyGGSACNIHPYWUHZ-UHFFFAOYSA-N
XLogP1.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050294
N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052318
3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050297
N-(furan-2-ylmethyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053497
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-methylbutyl)benzamide
CID 26636971
N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053559
3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051247
N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102896
3-N,3-N-diethyl-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055819
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289
N-(3,5-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053558
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053601

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide (CID 109053540) is N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide is CC(C)CCNC(=O)c1cccc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide?
The InChIKey is GGSACNIHPYWUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(2)7-8-19-17(22)15-5-4-6-16(13-15)18(23)21-11-9-20(3)10-12-21/h4-6,13-14H,7-12H2,1-3H3,(H,19,22).
What are the key properties of N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide?
N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide has a molecular weight of 317.43 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109053540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).