(2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride

C14H25ClN2O — CID 119313249

IUPAC(2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCNC1)N1CCCC1C1CCC1
InChIInChI=1S/C14H24N2O.ClH/c17-14(12-6-2-8-15-10-12)16-9-3-7-13(16)11-4-1-5-11;/h11-13,15H,1-10H2;1H
InChIKeyZWJFMVZMDFMMRD-UHFFFAOYSA-N
MW272.82 g/mol
LogP2.20
Rot. Bonds2

About (2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride

(2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride (PubChem CID 119313249) has the molecular formula C14H25ClN2O and a molecular weight of 272.82 g/mol. Its IUPAC name is (2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
PubChem CID119313249
Molecular FormulaC14H25ClN2O
Molecular Weight272.82 g/mol
Exact Mass272.17
IUPAC Name(2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCNC1)N1CCCC1C1CCC1
InChIInChI=1S/C14H24N2O.ClH/c17-14(12-6-2-8-15-10-12)16-9-3-7-13(16)11-4-1-5-11;/h11-13,15H,1-10H2;1H
InChIKeyZWJFMVZMDFMMRD-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.82
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride 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

[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-piperidin-3-ylmethanone
CID 102726290
cyclobutyl-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 110871989
cyclobutyl-(2-cyclopropylpyrrolidin-1-yl)methanone
CID 110871814
[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)cyclohexyl]-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 60596758
(2-methylpiperidin-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123466
(2-cyclopentylpyrrolidin-1-yl)-piperazin-2-ylmethanone
CID 63103464
(2-ethylpyrrolidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129016
1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one
CID 60979351
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-aminocyclohexyl)methanone;hydrochloride
CID 119686901
cyclopropyl-(2-cyclopropylpyrrolidin-1-yl)methanone
CID 110871757
(3-aminocyclohexyl)-(2-cyclobutylpyrrolidin-1-yl)methanone
CID 119765726
(2R)-1-[(3R)-piperidine-3-carbonyl]piperidine-2-carboxylic acid
CID 81134943

Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride?
The IUPAC name of (2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride (CID 119313249) is (2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for (2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride?
The canonical SMILES for (2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride is Cl.O=C(C1CCCNC1)N1CCCC1C1CCC1.
What is the InChIKey of (2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride?
The InChIKey is ZWJFMVZMDFMMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O.ClH/c17-14(12-6-2-8-15-10-12)16-9-3-7-13(16)11-4-1-5-11;/h11-13,15H,1-10H2;1H.
What are the key properties of (2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride?
(2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride has a molecular weight of 272.82 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylpyrrolidin-1-yl)-piperidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119313249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).