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

C20H27ClN2O3 — CID 24817812

IUPAC1-[(4-chlorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCC(CCO)CC2)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN2O3/c21-18-4-1-16(2-5-18)13-23-14-17(3-6-19(23)25)20(26)22-10-7-15(8-11-22)9-12-24/h1-2,4-5,15,17,24H,3,6-14H2
InChIKeySEHGMEKWZDXYLP-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.70
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 24817812) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID24817812
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name1-[(4-chlorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCC(CCO)CC2)CN1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN2O3/c21-18-4-1-16(2-5-18)13-23-14-17(3-6-19(23)25)20(26)22-10-7-15(8-11-22)9-12-24/h1-2,4-5,15,17,24H,3,6-14H2
InChIKeySEHGMEKWZDXYLP-UHFFFAOYSA-N
XLogP2.70
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one (CID 24817812) is 1-[(4-chlorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one is O=C1CCC(C(=O)N2CCC(CCO)CC2)CN1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is SEHGMEKWZDXYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c21-18-4-1-16(2-5-18)13-23-14-17(3-6-19(23)25)20(26)22-10-7-15(8-11-22)9-12-24/h1-2,4-5,15,17,24H,3,6-14H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one?
1-[(4-chlorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 378.90 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-[4-(2-hydroxyethyl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 24817812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).