N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide

C20H29N3O3S — CID 27005624

IUPACN-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CC1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H29N3O3S/c24-20(21-17-8-9-17)16-7-10-18(22-11-3-1-4-12-22)19(15-16)27(25,26)23-13-5-2-6-14-23/h7,10,15,17H,1-6,8-9,11-14H2,(H,21,24)
InChIKeyLRSPTNJGOUYTRY-UHFFFAOYSA-N
MW391.54 g/mol
LogP2.74
Rot. Bonds5

About N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide

N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 27005624) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID27005624
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC NameN-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NC1CC1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H29N3O3S/c24-20(21-17-8-9-17)16-7-10-18(22-11-3-1-4-12-22)19(15-16)27(25,26)23-13-5-2-6-14-23/h7,10,15,17H,1-6,8-9,11-14H2,(H,21,24)
InChIKeyLRSPTNJGOUYTRY-UHFFFAOYSA-N
XLogP2.74
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46349079
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide
CID 55463254
3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844
4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068470
[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate
CID 46648957
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349269
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate
CID 46649142
N-cyclopropyl-4-methyl-3-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 47047657
azepan-1-yl-(4-piperidin-1-yl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 24531727
N-(2,6-difluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55451008

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide (CID 27005624) is N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide is O=C(NC1CC1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is LRSPTNJGOUYTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S/c24-20(21-17-8-9-17)16-7-10-18(22-11-3-1-4-12-22)19(15-16)27(25,26)23-13-5-2-6-14-23/h7,10,15,17H,1-6,8-9,11-14H2,(H,21,24).
What are the key properties of N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide?
N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 391.54 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 27005624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).