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

C19H28N2O2 — CID 109052318

IUPACN-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
SMILESCC(C)CCNC(=O)c1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C19H28N2O2/c1-14(2)7-10-20-18(22)16-5-4-6-17(13-16)19(23)21-11-8-15(3)9-12-21/h4-6,13-15H,7-12H2,1-3H3,(H,20,22)
InChIKeyCSORTWFTZLPGRQ-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.33
Rot. Bonds5

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

N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide (PubChem CID 109052318) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
PubChem CID109052318
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
SMILESCC(C)CCNC(=O)c1cccc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C19H28N2O2/c1-14(2)7-10-20-18(22)16-5-4-6-17(13-16)19(23)21-11-8-15(3)9-12-21/h4-6,13-15H,7-12H2,1-3H3,(H,20,22)
InChIKeyCSORTWFTZLPGRQ-UHFFFAOYSA-N
XLogP3.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051247
3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050285
N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053540
3-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109050480
3-(4-methylpiperidine-1-carbonyl)-N-(4-propan-2-yloxyphenyl)benzamide
CID 109052369
N-(3,5-dimethylphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052336
[3-(4-ethylpiperazine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 109052272
2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid
CID 119177928
N-(2-ethylphenyl)-3-(4-methylpiperidine-1-carbonyl)benzamide
CID 109052339
3-(4-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 109052346
3-(4-benzylpiperidine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109051316
3-(3-methylbutoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179710

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide?
The IUPAC name of N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide (CID 109052318) is N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide?
The canonical SMILES for N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide is CC(C)CCNC(=O)c1cccc(C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide?
The InChIKey is CSORTWFTZLPGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14(2)7-10-20-18(22)16-5-4-6-17(13-16)19(23)21-11-8-15(3)9-12-21/h4-6,13-15H,7-12H2,1-3H3,(H,20,22).
What are the key properties of N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide?
N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide has a molecular weight of 316.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(4-methylpiperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109052318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).