N-(2-piperidin-1-ylethyl)-N-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]acetamide

C23H37N3O3S — CID 164633617

IUPACN-(2-piperidin-1-ylethyl)-N-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]acetamide
SMILESCC(=O)N(CCN1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C23H37N3O3S/c1-19(2)21-9-11-23(12-10-21)30(28,29)25-15-7-8-22(18-25)26(20(3)27)17-16-24-13-5-4-6-14-24/h9-12,19,22H,4-8,13-18H2,1-3H3/t22-/m0/s1
InChIKeyGDBJWVASSLWHNS-QFIPXVFZSA-N
MW435.63 g/mol
LogP3.30
Rot. Bonds7

About N-(2-piperidin-1-ylethyl)-N-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]acetamide

N-(2-piperidin-1-ylethyl)-N-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]acetamide (PubChem CID 164633617) has the molecular formula C23H37N3O3S and a molecular weight of 435.63 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-N-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-N-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]acetamide
PubChem CID164633617
Molecular FormulaC23H37N3O3S
Molecular Weight435.63 g/mol
Exact Mass435.26
IUPAC NameN-(2-piperidin-1-ylethyl)-N-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]acetamide
SMILESCC(=O)N(CCN1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C23H37N3O3S/c1-19(2)21-9-11-23(12-10-21)30(28,29)25-15-7-8-22(18-25)26(20(3)27)17-16-24-13-5-4-6-14-24/h9-12,19,22H,4-8,13-18H2,1-3H3/t22-/m0/s1
InChIKeyGDBJWVASSLWHNS-QFIPXVFZSA-N
XLogP3.30
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.63
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide
CID 58702063
N-(2-aminoethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119971355
1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 43605511
N-[2-(3-methylpiperidin-1-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55723158
1-(benzenesulfonyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 2981997
N-cyclopropyl-1-methyl-4-piperidin-1-ylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyrrole-2-carboxamide
CID 55633668
(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 94340425
[2-(aminomethyl)pyrrolidin-1-yl]-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
CID 119631416
(3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide
CID 51617060
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 71902944
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 27333469

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-N-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]acetamide?
The IUPAC name of N-(2-piperidin-1-ylethyl)-N-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]acetamide (CID 164633617) is N-(2-piperidin-1-ylethyl)-N-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-N-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]acetamide?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-N-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]acetamide is CC(=O)N(CCN1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(C(C)C)cc2)C1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-N-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]acetamide?
The InChIKey is GDBJWVASSLWHNS-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H37N3O3S/c1-19(2)21-9-11-23(12-10-21)30(28,29)25-15-7-8-22(18-25)26(20(3)27)17-16-24-13-5-4-6-14-24/h9-12,19,22H,4-8,13-18H2,1-3H3/t22-/m0/s1.
What are the key properties of N-(2-piperidin-1-ylethyl)-N-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]acetamide?
N-(2-piperidin-1-ylethyl)-N-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]acetamide has a molecular weight of 435.63 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-N-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]acetamide is sourced from PubChem (CID 164633617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).