N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide

C19H29N3O3S — CID 119551317

IUPACN-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
SMILESCN(C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCNC1
InChIInChI=1S/C19H29N3O3S/c1-21(17-11-12-20-15-17)19(23)10-7-16-5-8-18(9-6-16)26(24,25)22-13-3-2-4-14-22/h5-6,8-9,17,20H,2-4,7,10-15H2,1H3
InChIKeyUNSPWUYNVOZECA-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.61
Rot. Bonds6

About N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide

N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide (PubChem CID 119551317) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound NameN-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
PubChem CID119551317
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
SMILESCN(C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCNC1
InChIInChI=1S/C19H29N3O3S/c1-21(17-11-12-20-15-17)19(23)10-7-16-5-8-18(9-6-16)26(24,25)22-13-3-2-4-14-22/h5-6,8-9,17,20H,2-4,7,10-15H2,1H3
InChIKeyUNSPWUYNVOZECA-UHFFFAOYSA-N
XLogP1.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-piperidin-4-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 119442142
N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 60558334
3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119450862
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide
CID 119424951
N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119450219
N-(cyclohexylmethyl)-N-cyclopropyl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60535288
3-(4-piperidin-1-ylsulfonylphenyl)-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534778
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
N-piperidin-3-yl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119425534
sodium 3-(4-piperidin-1-ylsulfonylphenyl)propanoate
CID 23692705
N-cyclopropyl-4-[[methyl-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]amino]methyl]benzamide
CID 38390372
3-[4-(difluoromethoxy)phenyl]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553266

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide (CID 119551317) is N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide is CN(C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCNC1.
What is the InChIKey of N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide?
The InChIKey is UNSPWUYNVOZECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-21(17-11-12-20-15-17)19(23)10-7-16-5-8-18(9-6-16)26(24,25)22-13-3-2-4-14-22/h5-6,8-9,17,20H,2-4,7,10-15H2,1H3.
What are the key properties of N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide?
N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide has a molecular weight of 379.53 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119551317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).