N-tert-butyl-3-(piperidine-1-carbonyl)benzamide

C17H24N2O2 — CID 109052027

IUPACN-tert-butyl-3-(piperidine-1-carbonyl)benzamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C17H24N2O2/c1-17(2,3)18-15(20)13-8-7-9-14(12-13)16(21)19-10-5-4-6-11-19/h7-9,12H,4-6,10-11H2,1-3H3,(H,18,20)
InChIKeyPFXLXVGSAYELCY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.84
Rot. Bonds2

About N-tert-butyl-3-(piperidine-1-carbonyl)benzamide

N-tert-butyl-3-(piperidine-1-carbonyl)benzamide (PubChem CID 109052027) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-tert-butyl-3-(piperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-(piperidine-1-carbonyl)benzamide
PubChem CID109052027
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-tert-butyl-3-(piperidine-1-carbonyl)benzamide
SMILESCC(C)(C)NC(=O)c1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C17H24N2O2/c1-17(2,3)18-15(20)13-8-7-9-14(12-13)16(21)19-10-5-4-6-11-19/h7-9,12H,4-6,10-11H2,1-3H3,(H,18,20)
InChIKeyPFXLXVGSAYELCY-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azepane-1-carbonyl)-N-tert-butylbenzamide
CID 48845413
N-tert-butyl-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080380
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056054
3-(azetidine-1-carbonyl)benzoic acid
CID 127019188
N-cycloheptyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051684
3-(azepane-1-carbonyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 109056693
N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109055995
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
3-(azecane-1-carbonyl)benzamide
CID 66696565
3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
3-N-tert-butyl-1-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056053

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(piperidine-1-carbonyl)benzamide?
The IUPAC name of N-tert-butyl-3-(piperidine-1-carbonyl)benzamide (CID 109052027) is N-tert-butyl-3-(piperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-tert-butyl-3-(piperidine-1-carbonyl)benzamide?
The canonical SMILES for N-tert-butyl-3-(piperidine-1-carbonyl)benzamide is CC(C)(C)NC(=O)c1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of N-tert-butyl-3-(piperidine-1-carbonyl)benzamide?
The InChIKey is PFXLXVGSAYELCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2,3)18-15(20)13-8-7-9-14(12-13)16(21)19-10-5-4-6-11-19/h7-9,12H,4-6,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-tert-butyl-3-(piperidine-1-carbonyl)benzamide?
N-tert-butyl-3-(piperidine-1-carbonyl)benzamide has a molecular weight of 288.39 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(piperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109052027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).