3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide

C21H32N2O3S — CID 47041448

IUPAC3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide
SMILESCC1CCCN(Cc2ccc(NC(=O)CCS(=O)(=O)C3CCCC3)cc2)C1
InChIInChI=1S/C21H32N2O3S/c1-17-5-4-13-23(15-17)16-18-8-10-19(11-9-18)22-21(24)12-14-27(25,26)20-6-2-3-7-20/h8-11,17,20H,2-7,12-16H2,1H3,(H,22,24)
InChIKeyXTNICRRQDWBUKH-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.60
Rot. Bonds7

About 3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide

3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide (PubChem CID 47041448) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is 3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide
PubChem CID47041448
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC Name3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide
SMILESCC1CCCN(Cc2ccc(NC(=O)CCS(=O)(=O)C3CCCC3)cc2)C1
InChIInChI=1S/C21H32N2O3S/c1-17-5-4-13-23(15-17)16-18-8-10-19(11-9-18)22-21(24)12-14-27(25,26)20-6-2-3-7-20/h8-11,17,20H,2-7,12-16H2,1H3,(H,22,24)
InChIKeyXTNICRRQDWBUKH-UHFFFAOYSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]anilino]-3-oxopropyl]cyclopentanecarboxamide
CID 51953570
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 55798765
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55798631
2-(2-methoxyethylamino)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetamide;dihydrochloride
CID 119845048
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
(2S)-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]-2-methylsulfanylpropanamide
CID 94885506
3-cyclopentylsulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide
CID 55756704
(2S)-2-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]butanamide;dihydrochloride
CID 119845028
N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 16779543
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-4-oxobutanamide
CID 56562998
3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 55714823

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The IUPAC name of 3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide (CID 47041448) is 3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide.
What is the SMILES notation for 3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The canonical SMILES for 3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide is CC1CCCN(Cc2ccc(NC(=O)CCS(=O)(=O)C3CCCC3)cc2)C1.
What is the InChIKey of 3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide?
The InChIKey is XTNICRRQDWBUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-17-5-4-13-23(15-17)16-18-8-10-19(11-9-18)22-21(24)12-14-27(25,26)20-6-2-3-7-20/h8-11,17,20H,2-7,12-16H2,1H3,(H,22,24).
What are the key properties of 3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide?
3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide has a molecular weight of 392.57 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 47041448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).