N-[4-[(butylsulfonylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide

C19H31N3O3S — CID 123945411

IUPACN-[4-[(butylsulfonylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide
SMILESCCCCS(=O)(=O)NCc1ccc(NC(=O)CCN2CCCCC2)cc1
InChIInChI=1S/C19H31N3O3S/c1-2-3-15-26(24,25)20-16-17-7-9-18(10-8-17)21-19(23)11-14-22-12-5-4-6-13-22/h7-10,20H,2-6,11-16H2,1H3,(H,21,23)
InChIKeyRWFLXEMTQAJFAZ-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.72
Rot. Bonds10

About N-[4-[(butylsulfonylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide

N-[4-[(butylsulfonylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide (PubChem CID 123945411) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-[4-[(butylsulfonylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[4-[(butylsulfonylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide
PubChem CID123945411
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-[4-[(butylsulfonylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide
SMILESCCCCS(=O)(=O)NCc1ccc(NC(=O)CCN2CCCCC2)cc1
InChIInChI=1S/C19H31N3O3S/c1-2-3-15-26(24,25)20-16-17-7-9-18(10-8-17)21-19(23)11-14-22-12-5-4-6-13-22/h7-10,20H,2-6,11-16H2,1H3,(H,21,23)
InChIKeyRWFLXEMTQAJFAZ-UHFFFAOYSA-N
XLogP2.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-methylpropylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide
CID 123461510
N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 3292281
N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
CID 155569851
3-(4-ethylpiperazin-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109017734
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
3-(4-acetylpiperazin-1-yl)-N-(4-ethylphenyl)propanamide
CID 109018341
N-(4-formylphenyl)-3-piperidin-1-ylpropanamide
CID 123230186
3-piperidin-1-yl-N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]propanamide
CID 123274591
3-(azocan-1-yl)-N-(4-cyanophenyl)propanamide
CID 28801310
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569
4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
CID 110688218
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide
CID 59840298

Frequently Asked Questions

What is the IUPAC name of N-[4-[(butylsulfonylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[4-[(butylsulfonylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide (CID 123945411) is N-[4-[(butylsulfonylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[4-[(butylsulfonylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[4-[(butylsulfonylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide is CCCCS(=O)(=O)NCc1ccc(NC(=O)CCN2CCCCC2)cc1.
What is the InChIKey of N-[4-[(butylsulfonylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide?
The InChIKey is RWFLXEMTQAJFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-2-3-15-26(24,25)20-16-17-7-9-18(10-8-17)21-19(23)11-14-22-12-5-4-6-13-22/h7-10,20H,2-6,11-16H2,1H3,(H,21,23).
What are the key properties of N-[4-[(butylsulfonylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide?
N-[4-[(butylsulfonylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide has a molecular weight of 381.54 g/mol, XLogP of 2.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(butylsulfonylamino)methyl]phenyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 123945411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).