N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide

C23H33N3O3 — CID 50829342

IUPACN-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)N2CCCC(C(=O)NC3CCCC3)C2)c1
InChIInChI=1S/C23H33N3O3/c1-23(2,3)22(29)25-19-12-6-8-16(14-19)21(28)26-13-7-9-17(15-26)20(27)24-18-10-4-5-11-18/h6,8,12,14,17-18H,4-5,7,9-11,13,15H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyQZCNOGYHCZOYQW-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.58
Rot. Bonds4

About N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide

N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide (PubChem CID 50829342) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
PubChem CID50829342
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)N2CCCC(C(=O)NC3CCCC3)C2)c1
InChIInChI=1S/C23H33N3O3/c1-23(2,3)22(29)25-19-12-6-8-16(14-19)21(28)26-13-7-9-17(15-26)20(27)24-18-10-4-5-11-18/h6,8,12,14,17-18H,4-5,7,9-11,13,15H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyQZCNOGYHCZOYQW-UHFFFAOYSA-N
XLogP3.58
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-cycloheptyl-1-[4-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide
CID 92728911
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
1-[3-(benzenesulfonamido)benzoyl]-N-cycloheptylpiperidine-3-carboxamide
CID 46387322
N-cyclohexyl-3-(2,2-dimethylpropanoylamino)benzamide
CID 17170559
N-cyclopentyl-1-[3-[(2,4-dimethylphenyl)sulfonylamino]benzoyl]piperidine-3-carboxamide
CID 50830202
1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide
CID 119128282
N-[3-(2,2-dimethylpropanoylamino)phenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42942172
1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide
CID 121381993
N-[3-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,2-dimethylpropanamide
CID 110884052
(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide
CID 54835732
1-(3-acetamidobenzoyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 71681887

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide (CID 50829342) is N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide is CC(C)(C)C(=O)Nc1cccc(C(=O)N2CCCC(C(=O)NC3CCCC3)C2)c1.
What is the InChIKey of N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide?
The InChIKey is QZCNOGYHCZOYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-23(2,3)22(29)25-19-12-6-8-16(14-19)21(28)26-13-7-9-17(15-26)20(27)24-18-10-4-5-11-18/h6,8,12,14,17-18H,4-5,7,9-11,13,15H2,1-3H3,(H,24,27)(H,25,29).
What are the key properties of N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide?
N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[3-(2,2-dimethylpropanoylamino)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 50829342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).