N-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide

C24H35N3O4S — CID 5173746

IUPACN-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide
SMILESCC1CCN(C(=O)CCC(=O)N2CCC(N(C3CC3)S(=O)(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C24H35N3O4S/c1-19-11-15-25(16-12-19)23(28)9-10-24(29)26-17-13-21(14-18-26)27(20-7-8-20)32(30,31)22-5-3-2-4-6-22/h2-6,19-21H,7-18H2,1H3
InChIKeyLFWAPMJXBXOZGY-UHFFFAOYSA-N
MW461.63 g/mol
LogP2.87
Rot. Bonds7

About N-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide

N-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 5173746) has the molecular formula C24H35N3O4S and a molecular weight of 461.63 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide
PubChem CID5173746
Molecular FormulaC24H35N3O4S
Molecular Weight461.63 g/mol
Exact Mass461.23
IUPAC NameN-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide
SMILESCC1CCN(C(=O)CCC(=O)N2CCC(N(C3CC3)S(=O)(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C24H35N3O4S/c1-19-11-15-25(16-12-19)23(28)9-10-24(29)26-17-13-21(14-18-26)27(20-7-8-20)32(30,31)22-5-3-2-4-6-22/h2-6,19-21H,7-18H2,1H3
InChIKeyLFWAPMJXBXOZGY-UHFFFAOYSA-N
XLogP2.87
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.63
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide with MolForge

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Related Compounds

N-cyclopropyl-N-[1-[4-(4-fluorophenyl)-4-hydroxybutanoyl]piperidin-4-yl]benzenesulfonamide
CID 141139016
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 2537450
4-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
CID 5181010
N-(4-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1000741
4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 1142876
N-[(4-chlorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 126010590
3-[benzyl(methyl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109014307
N-cyclopropyl-N-[1-[(3S)-oxolane-3-carbonyl]piperidin-4-yl]benzenesulfonamide
CID 99928671
N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 134008436
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
N-(1-acetylpiperidin-4-yl)-4-chloro-N-cyclopropylbenzenesulfonamide
CID 4081892
1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(3,5-dimethylpiperidin-1-yl)butane-1,4-dione
CID 42910150

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide (CID 5173746) is N-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide is CC1CCN(C(=O)CCC(=O)N2CCC(N(C3CC3)S(=O)(=O)c3ccccc3)CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is LFWAPMJXBXOZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4S/c1-19-11-15-25(16-12-19)23(28)9-10-24(29)26-17-13-21(14-18-26)27(20-7-8-20)32(30,31)22-5-3-2-4-6-22/h2-6,19-21H,7-18H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide?
N-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 461.63 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 5173746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).