1-cyclopropyl-5-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one

C21H28N2O2S — CID 24790884

IUPAC1-cyclopropyl-5-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one
SMILESCc1cccc(SC2CCN(C(=O)C3CCC(=O)N(C4CC4)C3)CC2)c1
InChIInChI=1S/C21H28N2O2S/c1-15-3-2-4-19(13-15)26-18-9-11-22(12-10-18)21(25)16-5-8-20(24)23(14-16)17-6-7-17/h2-4,13,16-18H,5-12,14H2,1H3
InChIKeyBBYVWCLVLVWGOL-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.48
Rot. Bonds4

About 1-cyclopropyl-5-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one

1-cyclopropyl-5-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one (PubChem CID 24790884) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is 1-cyclopropyl-5-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-5-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one
PubChem CID24790884
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC Name1-cyclopropyl-5-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one
SMILESCc1cccc(SC2CCN(C(=O)C3CCC(=O)N(C4CC4)C3)CC2)c1
InChIInChI=1S/C21H28N2O2S/c1-15-3-2-4-19(13-15)26-18-9-11-22(12-10-18)21(25)16-5-8-20(24)23(14-16)17-6-7-17/h2-4,13,16-18H,5-12,14H2,1H3
InChIKeyBBYVWCLVLVWGOL-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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-cyclopropyl-5-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one (CID 24790884) is 1-cyclopropyl-5-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-cyclopropyl-5-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-cyclopropyl-5-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one is Cc1cccc(SC2CCN(C(=O)C3CCC(=O)N(C4CC4)C3)CC2)c1.
What is the InChIKey of 1-cyclopropyl-5-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one?
The InChIKey is BBYVWCLVLVWGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-15-3-2-4-19(13-15)26-18-9-11-22(12-10-18)21(25)16-5-8-20(24)23(14-16)17-6-7-17/h2-4,13,16-18H,5-12,14H2,1H3.
What are the key properties of 1-cyclopropyl-5-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one?
1-cyclopropyl-5-[4-(3-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-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 24790884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).