N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride

C16H31ClN2O3S — CID 119785653

IUPACN-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C(C)CS(C)(=O)=O)C1CC1)C1CCNCC1.Cl
InChIInChI=1S/C16H30N2O3S.ClH/c1-12(14-6-8-17-9-7-14)10-16(19)18(15-4-5-15)13(2)11-22(3,20)21;/h12-15,17H,4-11H2,1-3H3;1H
InChIKeyRJKAHTARVBXLMP-UHFFFAOYSA-N
MW366.96 g/mol
LogP1.86
Rot. Bonds7

About N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride

N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119785653) has the molecular formula C16H31ClN2O3S and a molecular weight of 366.96 g/mol. Its IUPAC name is N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119785653
Molecular FormulaC16H31ClN2O3S
Molecular Weight366.96 g/mol
Exact Mass366.17
IUPAC NameN-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)N(C(C)CS(C)(=O)=O)C1CC1)C1CCNCC1.Cl
InChIInChI=1S/C16H30N2O3S.ClH/c1-12(14-6-8-17-9-7-14)10-16(19)18(15-4-5-15)13(2)11-22(3,20)21;/h12-15,17H,4-11H2,1-3H3;1H
InChIKeyRJKAHTARVBXLMP-UHFFFAOYSA-N
XLogP1.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.96
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;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

N-cyclopropyl-N-ethyl-3-piperidin-4-ylbutanamide
CID 119718930
N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)pyrrolidine-3-carboxamide
CID 119785662
N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119324783
N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119760613
N-ethyl-N-(2-methylbutyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119816159
N-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119791939
N-(2-methylpropyl)-N-pentan-3-yl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119816024
N-(2-amino-2-oxoethyl)-3-piperidin-4-yl-N-propan-2-ylbutanamide;hydrochloride
CID 119684345
N-ethyl-N-(2-methylpropyl)-3-piperidin-4-ylbutanamide
CID 119732319
N-(1-ethylpiperidin-4-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119841958
N-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide
CID 119812275
N-butan-2-yl-3-piperidin-4-ylbutanamide
CID 119669606

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119785653) is N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)N(C(C)CS(C)(=O)=O)C1CC1)C1CCNCC1.Cl.
What is the InChIKey of N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is RJKAHTARVBXLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3S.ClH/c1-12(14-6-8-17-9-7-14)10-16(19)18(15-4-5-15)13(2)11-22(3,20)21;/h12-15,17H,4-11H2,1-3H3;1H.
What are the key properties of N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 366.96 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119785653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).