1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one

C20H27ClN2O3 — CID 24818994

IUPAC1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one
SMILESCOCC1CCN(C(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C20H27ClN2O3/c1-26-14-16-8-10-22(11-9-16)20(25)17-4-7-19(24)23(13-17)12-15-2-5-18(21)6-3-15/h2-3,5-6,16-17H,4,7-14H2,1H3
InChIKeyGOYSSPCLTGNKPM-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.96
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one

1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 24818994) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID24818994
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one
SMILESCOCC1CCN(C(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C20H27ClN2O3/c1-26-14-16-8-10-22(11-9-16)20(25)17-4-7-19(24)23(13-17)12-15-2-5-18(21)6-3-15/h2-3,5-6,16-17H,4,7-14H2,1H3
InChIKeyGOYSSPCLTGNKPM-UHFFFAOYSA-N
XLogP2.96
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one (CID 24818994) is 1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one is COCC1CCN(C(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is GOYSSPCLTGNKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c1-26-14-16-8-10-22(11-9-16)20(25)17-4-7-19(24)23(13-17)12-15-2-5-18(21)6-3-15/h2-3,5-6,16-17H,4,7-14H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one?
1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 378.90 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 24818994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).