3-cyclopentylsulfonyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide

C21H32N2O3S — CID 47040746

IUPAC3-cyclopentylsulfonyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C21H32N2O3S/c1-22(21(24)13-16-27(25,26)20-7-3-4-8-20)17-18-9-11-19(12-10-18)23-14-5-2-6-15-23/h9-12,20H,2-8,13-17H2,1H3
InChIKeyCWNFLPZGTKIPFW-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.38
Rot. Bonds7

About 3-cyclopentylsulfonyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide

3-cyclopentylsulfonyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide (PubChem CID 47040746) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
PubChem CID47040746
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC Name3-cyclopentylsulfonyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C21H32N2O3S/c1-22(21(24)13-16-27(25,26)20-7-3-4-8-20)17-18-9-11-19(12-10-18)23-14-5-2-6-15-23/h9-12,20H,2-8,13-17H2,1H3
InChIKeyCWNFLPZGTKIPFW-UHFFFAOYSA-N
XLogP3.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231414
N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 18072731
N-methyl-2-(methylamino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 61254195
3-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 24552043
6-acetamido-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]hexanamide
CID 39490122
N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 34470185
3,5-dimethyl-N-[2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 24551977
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-5-(2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
CID 42926849
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 55821184
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034927
(3R)-1-cyclopentyl-N-methyl-5-oxo-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 25360307
2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 61254395

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide (CID 47040746) is 3-cyclopentylsulfonyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide is CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CCS(=O)(=O)C1CCCC1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide?
The InChIKey is CWNFLPZGTKIPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-22(21(24)13-16-27(25,26)20-7-3-4-8-20)17-18-9-11-19(12-10-18)23-14-5-2-6-15-23/h9-12,20H,2-8,13-17H2,1H3.
What are the key properties of 3-cyclopentylsulfonyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide?
3-cyclopentylsulfonyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide has a molecular weight of 392.57 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 47040746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).