3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide

C22H29ClN2O2 — CID 25448695

IUPAC3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide
SMILESO=C(CC[C@@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)C1)NC1CC1
InChIInChI=1S/C22H29ClN2O2/c23-18-7-5-17(6-8-18)22(12-2-13-22)21(27)25-14-1-3-16(15-25)4-11-20(26)24-19-9-10-19/h5-8,16,19H,1-4,9-15H2,(H,24,26)/t16-/m0/s1
InChIKeyIGLJYSHAWQVFSI-INIZCTEOSA-N
MW388.94 g/mol
LogP4.06
Rot. Bonds6

About 3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide

3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide (PubChem CID 25448695) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is 3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide
PubChem CID25448695
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC Name3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide
SMILESO=C(CC[C@@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)C1)NC1CC1
InChIInChI=1S/C22H29ClN2O2/c23-18-7-5-17(6-8-18)22(12-2-13-22)21(27)25-14-1-3-16(15-25)4-11-20(26)24-19-9-10-19/h5-8,16,19H,1-4,9-15H2,(H,24,26)/t16-/m0/s1
InChIKeyIGLJYSHAWQVFSI-INIZCTEOSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-chlorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119396144
[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
[1-(4-chlorophenyl)cyclobutyl]-(3-hydroxypiperidin-1-yl)methanone;ethane
CID 142125179
[1-(4-chlorophenyl)cyclobutyl]-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone
CID 70898167
3-[(3R)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]propanoic acid
CID 124701646
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 119409853
[1-(4-chlorophenyl)cyclobutyl]-[3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone
CID 11477295
N-cyclopropyl-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
CID 45207272
tris(1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-(phenoxymethyl)piperidine);[1-(4-chlorophenyl)cyclobutyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 161196249
N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
CID 26397692
3-[(3S)-1-[4-(3-chlorophenyl)oxane-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124700302
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119355153

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide (CID 25448695) is 3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide is O=C(CC[C@@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCC2)C1)NC1CC1.
What is the InChIKey of 3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide?
The InChIKey is IGLJYSHAWQVFSI-INIZCTEOSA-N. The full InChI is InChI=1S/C22H29ClN2O2/c23-18-7-5-17(6-8-18)22(12-2-13-22)21(27)25-14-1-3-16(15-25)4-11-20(26)24-19-9-10-19/h5-8,16,19H,1-4,9-15H2,(H,24,26)/t16-/m0/s1.
What are the key properties of 3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide?
3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide has a molecular weight of 388.94 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-3-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 25448695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).