1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide

C22H27N3O3 — CID 24793122

IUPAC1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)NCCc3cccnc3)CCC2=O)cc1
InChIInChI=1S/C22H27N3O3/c1-28-20-7-4-17(5-8-20)11-14-25-16-19(6-9-21(25)26)22(27)24-13-10-18-3-2-12-23-15-18/h2-5,7-8,12,15,19H,6,9-11,13-14,16H2,1H3,(H,24,27)
InChIKeyPHCUSTDEXHVIHY-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.23
Rot. Bonds8

About 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide

1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide (PubChem CID 24793122) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
PubChem CID24793122
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
SMILESCOc1ccc(CCN2CC(C(=O)NCCc3cccnc3)CCC2=O)cc1
InChIInChI=1S/C22H27N3O3/c1-28-20-7-4-17(5-8-20)11-14-25-16-19(6-9-21(25)26)22(27)24-13-10-18-3-2-12-23-15-18/h2-5,7-8,12,15,19H,6,9-11,13-14,16H2,1H3,(H,24,27)
InChIKeyPHCUSTDEXHVIHY-UHFFFAOYSA-N
XLogP2.23
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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6-(4-(3-(Benzylamino)propyl)phenoxy)nicotinamide
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9P7ZX5Bwv8
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide (CID 24793122) is 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide is COc1ccc(CCN2CC(C(=O)NCCc3cccnc3)CCC2=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide?
The InChIKey is PHCUSTDEXHVIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-28-20-7-4-17(5-8-20)11-14-25-16-19(6-9-21(25)26)22(27)24-13-10-18-3-2-12-23-15-18/h2-5,7-8,12,15,19H,6,9-11,13-14,16H2,1H3,(H,24,27).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide?
1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24793122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).