N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide

C25H40N4O3S — CID 55879251

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(CNC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1)CN1CCCC1
InChIInChI=1S/C25H40N4O3S/c1-21(20-27-12-8-9-13-27)19-26-25(30)22-10-11-23(28-14-4-2-5-15-28)24(18-22)33(31,32)29-16-6-3-7-17-29/h10-11,18,21H,2-9,12-17,19-20H2,1H3,(H,26,30)
InChIKeyZTJBZBXZFDLPDH-UHFFFAOYSA-N
MW476.69 g/mol
LogP3.31
Rot. Bonds8

About N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 55879251) has the molecular formula C25H40N4O3S and a molecular weight of 476.69 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID55879251
Molecular FormulaC25H40N4O3S
Molecular Weight476.69 g/mol
Exact Mass476.28
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
SMILESCC(CNC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1)CN1CCCC1
InChIInChI=1S/C25H40N4O3S/c1-21(20-27-12-8-9-13-27)19-26-25(30)22-10-11-23(28-14-4-2-5-15-28)24(18-22)33(31,32)29-16-6-3-7-17-29/h10-11,18,21H,2-9,12-17,19-20H2,1H3,(H,26,30)
InChIKeyZTJBZBXZFDLPDH-UHFFFAOYSA-N
XLogP3.31
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.69
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349269
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 55879882
4-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 81295079
3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 107999448
N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27005624
N-(3-phenylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349231
4-fluoro-N-(2-hydroxypropyl)-3-piperidin-1-ylsulfonylbenzamide
CID 78856177
N-[1-(furan-2-yl)propan-2-yl]-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46349120
3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 103892120
4-methoxy-N-[(2S)-1-piperidin-1-ylpropan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 35121300
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 24529645
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide
CID 55463254

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide (CID 55879251) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide is CC(CNC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ZTJBZBXZFDLPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O3S/c1-21(20-27-12-8-9-13-27)19-26-25(30)22-10-11-23(28-14-4-2-5-15-28)24(18-22)33(31,32)29-16-6-3-7-17-29/h10-11,18,21H,2-9,12-17,19-20H2,1H3,(H,26,30).
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 476.69 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55879251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).