1-cyclopropyl-5-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one

C21H28N2O2S — CID 24790709

IUPAC1-cyclopropyl-5-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one
SMILESCc1ccc(SC2CCN(C(=O)C3CCC(=O)N(C4CC4)C3)CC2)cc1
InChIInChI=1S/C21H28N2O2S/c1-15-2-7-18(8-3-15)26-19-10-12-22(13-11-19)21(25)16-4-9-20(24)23(14-16)17-5-6-17/h2-3,7-8,16-17,19H,4-6,9-14H2,1H3
InChIKeyKQEVKCDNSDQOCY-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.48
Rot. Bonds4

About 1-cyclopropyl-5-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one

1-cyclopropyl-5-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one (PubChem CID 24790709) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 1-cyclopropyl-5-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-5-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one
PubChem CID24790709
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name1-cyclopropyl-5-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one
SMILESCc1ccc(SC2CCN(C(=O)C3CCC(=O)N(C4CC4)C3)CC2)cc1
InChIInChI=1S/C21H28N2O2S/c1-15-2-7-18(8-3-15)26-19-10-12-22(13-11-19)21(25)16-4-9-20(24)23(14-16)17-5-6-17/h2-3,7-8,16-17,19H,4-6,9-14H2,1H3
InChIKeyKQEVKCDNSDQOCY-UHFFFAOYSA-N
XLogP3.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-4-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 42937923
(5R)-1-cyclopropyl-5-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperidin-2-one
CID 42189910
5-[4-(4-chlorophenyl)piperazine-1-carbonyl]-1-cyclopropylpiperidin-2-one
CID 24791970
(3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26326584
1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24816632
1-cyclopentyl-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]piperidin-2-one
CID 45195395
1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one
CID 45213447
4-(4-methylphenyl)sulfanylcyclohexan-1-one
CID 10331073
3-[3-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]-3-oxopropyl]-4,5-dihydro-1H-pyridazin-6-one
CID 131907382
1-cyclopentyl-4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 53003958
1-cyclopropylsulfanyl-4-methylbenzene
CID 12836423
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-cyclopropyl-5-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one (CID 24790709) is 1-cyclopropyl-5-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-cyclopropyl-5-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-cyclopropyl-5-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one is Cc1ccc(SC2CCN(C(=O)C3CCC(=O)N(C4CC4)C3)CC2)cc1.
What is the InChIKey of 1-cyclopropyl-5-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one?
The InChIKey is KQEVKCDNSDQOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-15-2-7-18(8-3-15)26-19-10-12-22(13-11-19)21(25)16-4-9-20(24)23(14-16)17-5-6-17/h2-3,7-8,16-17,19H,4-6,9-14H2,1H3.
What are the key properties of 1-cyclopropyl-5-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one?
1-cyclopropyl-5-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one has a molecular weight of 372.53 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[4-(4-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 24790709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).