N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide

C18H27N3O4S — CID 120945406

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCC1CNCC1O
InChIInChI=1S/C18H27N3O4S/c1-13-5-6-15(26(24,25)21-7-3-2-4-8-21)9-16(13)18(23)20-11-14-10-19-12-17(14)22/h5-6,9,14,17,19,22H,2-4,7-8,10-12H2,1H3,(H,20,23)
InChIKeyQWABVTCCSAJBHW-UHFFFAOYSA-N
MW381.50 g/mol
LogP0.48
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 120945406) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID120945406
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCC1CNCC1O
InChIInChI=1S/C18H27N3O4S/c1-13-5-6-15(26(24,25)21-7-3-2-4-8-21)9-16(13)18(23)20-11-14-10-19-12-17(14)22/h5-6,9,14,17,19,22H,2-4,7-8,10-12H2,1H3,(H,20,23)
InChIKeyQWABVTCCSAJBHW-UHFFFAOYSA-N
XLogP0.48
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 43882539
2-methyl-5-piperidin-1-ylsulfonyl-N-prop-2-ynylbenzamide
CID 7997753
5-(azepan-1-ylsulfonyl)-N-butyl-2-methylbenzamide
CID 53281850
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 28590332
N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26638354
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride
CID 120946846
5-(azepan-1-ylsulfonyl)-N-(3-ethoxypropyl)-2-methylbenzamide
CID 28590378
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 120943334
cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677581
2-methyl-5-piperidin-1-ylsulfonyl-N-(1,2,4-triazol-4-yl)benzamide
CID 2344795
N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
2-methyl-N-(2-phenylsulfanylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 9482877

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide (CID 120945406) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCC1CNCC1O.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is QWABVTCCSAJBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-13-5-6-15(26(24,25)21-7-3-2-4-8-21)9-16(13)18(23)20-11-14-10-19-12-17(14)22/h5-6,9,14,17,19,22H,2-4,7-8,10-12H2,1H3,(H,20,23).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 381.50 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 120945406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).