N-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide

C19H29N3O3S — CID 113145791

IUPACN-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCCCC1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H29N3O3S/c1-26(24,25)22(16-11-19(23)21-14-3-2-4-15-21)18-9-7-17(8-10-18)20-12-5-6-13-20/h7-10H,2-6,11-16H2,1H3
InChIKeyHVAMJRTUIHZBEH-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.46
Rot. Bonds6

About N-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide

N-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide (PubChem CID 113145791) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
PubChem CID113145791
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCCCC1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H29N3O3S/c1-26(24,25)22(16-11-19(23)21-14-3-2-4-15-21)18-9-7-17(8-10-18)20-12-5-6-13-20/h7-10H,2-6,11-16H2,1H3
InChIKeyHVAMJRTUIHZBEH-UHFFFAOYSA-N
XLogP2.46
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(N-methylsulfonyl-4-piperidin-1-ylanilino)-N-propan-2-ylpropanamide
CID 113145813
N,N-diethyl-2-(N-methylsulfonyl-4-piperidin-1-ylanilino)acetamide
CID 113156320
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(3-fluorophenyl)methanesulfonamide
CID 113145953
N-(4-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113143872
N-(3-chloro-4-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 113144245
2-methyl-N-[2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide
CID 113071351
N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide
CID 113156284
N-(2-bromophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)methanesulfonamide
CID 113146031
N-[4-[methylsulfonyl-(3-morpholin-4-yl-3-oxopropyl)amino]phenyl]acetamide
CID 113145513
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,4-dimethylphenyl)methanesulfonamide
CID 113142063
N-(4-ethylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113142796
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 113145245

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide?
The IUPAC name of N-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide (CID 113145791) is N-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide?
The canonical SMILES for N-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide is CS(=O)(=O)N(CCC(=O)N1CCCCC1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide?
The InChIKey is HVAMJRTUIHZBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-26(24,25)22(16-11-19(23)21-14-3-2-4-15-21)18-9-7-17(8-10-18)20-12-5-6-13-20/h7-10H,2-6,11-16H2,1H3.
What are the key properties of N-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide?
N-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide has a molecular weight of 379.53 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-piperidin-1-ylpropyl)-N-(4-pyrrolidin-1-ylphenyl)methanesulfonamide is sourced from PubChem (CID 113145791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).