1-[2-(4-chlorophenyl)ethyl]-5-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-2-one

C22H31ClN2O2 — CID 24818992

IUPAC1-[2-(4-chlorophenyl)ethyl]-5-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-2-one
SMILESCC(C)C1CCN(C(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C22H31ClN2O2/c1-16(2)18-10-13-24(14-11-18)22(27)19-5-8-21(26)25(15-19)12-9-17-3-6-20(23)7-4-17/h3-4,6-7,16,18-19H,5,8-15H2,1-2H3
InChIKeyNMTROKVMNIWMTD-UHFFFAOYSA-N
MW390.96 g/mol
LogP4.02
Rot. Bonds5

About 1-[2-(4-chlorophenyl)ethyl]-5-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-2-one

1-[2-(4-chlorophenyl)ethyl]-5-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-2-one (PubChem CID 24818992) has the molecular formula C22H31ClN2O2 and a molecular weight of 390.96 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-5-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-5-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-2-one
PubChem CID24818992
Molecular FormulaC22H31ClN2O2
Molecular Weight390.96 g/mol
Exact Mass390.21
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-5-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-2-one
SMILESCC(C)C1CCN(C(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C22H31ClN2O2/c1-16(2)18-10-13-24(14-11-18)22(27)19-5-8-21(26)25(15-19)12-9-17-3-6-20(23)7-4-17/h3-4,6-7,16,18-19H,5,8-15H2,1-2H3
InChIKeyNMTROKVMNIWMTD-UHFFFAOYSA-N
XLogP4.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.96
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-5-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-2-one?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-5-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-2-one (CID 24818992) is 1-[2-(4-chlorophenyl)ethyl]-5-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-5-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-5-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-2-one is CC(C)C1CCN(C(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-5-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-2-one?
The InChIKey is NMTROKVMNIWMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN2O2/c1-16(2)18-10-13-24(14-11-18)22(27)19-5-8-21(26)25(15-19)12-9-17-3-6-20(23)7-4-17/h3-4,6-7,16,18-19H,5,8-15H2,1-2H3.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-5-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-2-one?
1-[2-(4-chlorophenyl)ethyl]-5-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-2-one has a molecular weight of 390.96 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-5-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 24818992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).