N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide

C23H37N3O3S — CID 3237443

IUPACN-[2-(4-benzylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCN2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C23H37N3O3S/c1-2-17-30(28,29)26-13-6-9-22(19-26)23(27)24-12-16-25-14-10-21(11-15-25)18-20-7-4-3-5-8-20/h3-5,7-8,21-22H,2,6,9-19H2,1H3,(H,24,27)
InChIKeyIMUYRHYEPBBRIX-UHFFFAOYSA-N
MW435.63 g/mol
LogP2.51
Rot. Bonds9

About N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide

N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 3237443) has the molecular formula C23H37N3O3S and a molecular weight of 435.63 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID3237443
Molecular FormulaC23H37N3O3S
Molecular Weight435.63 g/mol
Exact Mass435.26
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCCN2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C23H37N3O3S/c1-2-17-30(28,29)26-13-6-9-22(19-26)23(27)24-12-16-25-14-10-21(11-15-25)18-20-7-4-3-5-8-20/h3-5,7-8,21-22H,2,6,9-19H2,1H3,(H,24,27)
InChIKeyIMUYRHYEPBBRIX-UHFFFAOYSA-N
XLogP2.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.63
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 4057576
1-(butylsulfonyl)-N-(2-phenylethyl)-3-piperidinecarboxamide
CID 6473196
(4-Benzylpiperidin-1-yl)[1-(methylsulfonyl)piperidin-4-yl]methanone
CID 1082618
N-[2-(1-cyclohexen-1-yl)ethyl]-1-(phenylsulfonyl)-3-piperidinecarboxamide
CID 2972016
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3236414
N-{3-[benzyl(isopropyl)amino]propyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3236804
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3239392
N-[3-(4-benzylpiperidin-1-yl)propyl]-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3240019
N-{3-[benzyl(methyl)amino]propyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3240860
1-[(4-methylphenyl)sulfonyl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 3240900
N-{2-[benzyl(isopropyl)amino]ethyl}-1-(propylsulfonyl)piperidine-3-carboxamide
CID 3241559
1-(Benzylsulfonyl)-3-(1-piperidinylcarbonyl)piperidine
CID 3242176

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 3237443) is N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NCCN2CCC(Cc3ccccc3)CC2)C1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is IMUYRHYEPBBRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3S/c1-2-17-30(28,29)26-13-6-9-22(19-26)23(27)24-12-16-25-14-10-21(11-15-25)18-20-7-4-3-5-8-20/h3-5,7-8,21-22H,2,6,9-19H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide?
N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 435.63 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3237443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).