N-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide

C23H35N3O3S — CID 55612373

IUPACN-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCC1CCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1
InChIInChI=1S/C23H35N3O3S/c27-23(24-18-19-9-3-4-10-19)21-17-20(30(28,29)26-15-7-2-8-16-26)11-12-22(21)25-13-5-1-6-14-25/h11-12,17,19H,1-10,13-16,18H2,(H,24,27)
InChIKeyOLJUWNMEPBYNFW-UHFFFAOYSA-N
MW433.62 g/mol
LogP3.77
Rot. Bonds6

About N-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide

N-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 55612373) has the molecular formula C23H35N3O3S and a molecular weight of 433.62 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID55612373
Molecular FormulaC23H35N3O3S
Molecular Weight433.62 g/mol
Exact Mass433.24
IUPAC NameN-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCC1CCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1
InChIInChI=1S/C23H35N3O3S/c27-23(24-18-19-9-3-4-10-19)21-17-20(30(28,29)26-15-7-2-8-16-26)11-12-22(21)25-13-5-1-6-14-25/h11-12,17,19H,1-10,13-16,18H2,(H,24,27)
InChIKeyOLJUWNMEPBYNFW-UHFFFAOYSA-N
XLogP3.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)ethyl]-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide;hydrochloride
CID 119503414
4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
CID 2666739
5-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]-2-pyrrolidin-1-ylbenzamide
CID 25361107
N-cyclohexyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 4825496
N-[(5-chlorothiophen-2-yl)methyl]-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 33177662
azepan-1-yl-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 112759512
N-methyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 17478604
4-chloro-3-(cyclohexylmethylcarbamoyl)benzenesulfonyl chloride
CID 65371129
[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzoate
CID 42983796
5-(azepan-1-ylsulfonyl)-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 43882539
N-(2,3-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 29200072
3-(azepan-1-ylsulfonyl)-4-chloro-N-(cyclopentylmethyl)benzamide
CID 39212135

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide (CID 55612373) is N-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide is O=C(NCC1CCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is OLJUWNMEPBYNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3S/c27-23(24-18-19-9-3-4-10-19)21-17-20(30(28,29)26-15-7-2-8-16-26)11-12-22(21)25-13-5-1-6-14-25/h11-12,17,19H,1-10,13-16,18H2,(H,24,27).
What are the key properties of N-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide?
N-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 433.62 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-piperidin-1-yl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55612373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).