1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide

C23H28N2O2 — CID 121381993

IUPAC1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide
SMILESCC(C)(C)c1cccc(NC(=O)C2CCCN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C23H28N2O2/c1-23(2,3)19-12-7-13-20(15-19)24-21(26)18-11-8-14-25(16-18)22(27)17-9-5-4-6-10-17/h4-7,9-10,12-13,15,18H,8,11,14,16H2,1-3H3,(H,24,26)
InChIKeyBNAMLPUZYOLWRR-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.47
Rot. Bonds3

About 1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide

1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide (PubChem CID 121381993) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide
PubChem CID121381993
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide
SMILESCC(C)(C)c1cccc(NC(=O)C2CCCN(C(=O)c3ccccc3)C2)c1
InChIInChI=1S/C23H28N2O2/c1-23(2,3)19-12-7-13-20(15-19)24-21(26)18-11-8-14-25(16-18)22(27)17-9-5-4-6-10-17/h4-7,9-10,12-13,15,18H,8,11,14,16H2,1-3H3,(H,24,26)
InChIKeyBNAMLPUZYOLWRR-UHFFFAOYSA-N
XLogP4.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94082199
N-(3-tert-butylphenyl)-1-(2-fluoro-6-hydroxybenzoyl)piperidine-3-carboxamide
CID 121382012
(3S)-N-(3-tert-butylphenyl)-1-(3-methoxy-2-methylbenzoyl)piperidine-3-carboxamide
CID 126604020
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94857474
N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804384
1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46387250
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887
(3R)-N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082579
2-[3-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119351787
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 46657993

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide (CID 121381993) is 1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide is CC(C)(C)c1cccc(NC(=O)C2CCCN(C(=O)c3ccccc3)C2)c1.
What is the InChIKey of 1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide?
The InChIKey is BNAMLPUZYOLWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-23(2,3)19-12-7-13-20(15-19)24-21(26)18-11-8-14-25(16-18)22(27)17-9-5-4-6-10-17/h4-7,9-10,12-13,15,18H,8,11,14,16H2,1-3H3,(H,24,26).
What are the key properties of 1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide?
1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 121381993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).