4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide

C25H40N4O3S — CID 55463254

IUPAC4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C25H40N4O3S/c1-2-13-27-18-11-22(12-19-27)26-25(30)21-9-10-23(28-14-5-3-6-15-28)24(20-21)33(31,32)29-16-7-4-8-17-29/h9-10,20,22H,2-8,11-19H2,1H3,(H,26,30)
InChIKeyRCQSQNQJMUSPBV-UHFFFAOYSA-N
MW476.69 g/mol
LogP3.46
Rot. Bonds7

About 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide

4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide (PubChem CID 55463254) has the molecular formula C25H40N4O3S and a molecular weight of 476.69 g/mol. Its IUPAC name is 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide
PubChem CID55463254
Molecular FormulaC25H40N4O3S
Molecular Weight476.69 g/mol
Exact Mass476.28
IUPAC Name4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide
SMILESCCCN1CCC(NC(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C25H40N4O3S/c1-2-13-27-18-11-22(12-19-27)26-25(30)21-9-10-23(28-14-5-3-6-15-28)24(20-21)33(31,32)29-16-7-4-8-17-29/h9-10,20,22H,2-8,11-19H2,1H3,(H,26,30)
InChIKeyRCQSQNQJMUSPBV-UHFFFAOYSA-N
XLogP3.46
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.69
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide
CID 9264502
N-cyclopropyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 27005624
N-cyclopentyl-4-pyrrolidin-1-yl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46349079
N-ethyl-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349269
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068470
3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844
[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate
CID 46648957
[1-(cyclopentylamino)-1-oxopropan-2-yl] 4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzoate
CID 46649142
4-fluoro-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 56568816
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(1-propylpiperidin-4-yl)benzamide
CID 55407115

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide?
The IUPAC name of 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide (CID 55463254) is 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide is CCCN1CCC(NC(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)CC1.
What is the InChIKey of 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide?
The InChIKey is RCQSQNQJMUSPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O3S/c1-2-13-27-18-11-22(12-19-27)26-25(30)21-9-10-23(28-14-5-3-6-15-28)24(20-21)33(31,32)29-16-7-4-8-17-29/h9-10,20,22H,2-8,11-19H2,1H3,(H,26,30).
What are the key properties of 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide?
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide has a molecular weight of 476.69 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-(1-propylpiperidin-4-yl)benzamide is sourced from PubChem (CID 55463254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).