N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide

C23H29N3O3 — CID 110622094

IUPACN-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESCOc1ccccc1C(CNC(=O)CCC(=O)c1cccnc1)N1CCCCC1
InChIInChI=1S/C23H29N3O3/c1-29-22-10-4-3-9-19(22)20(26-14-5-2-6-15-26)17-25-23(28)12-11-21(27)18-8-7-13-24-16-18/h3-4,7-10,13,16,20H,2,5-6,11-12,14-15,17H2,1H3,(H,25,28)
InChIKeyASYWOMROOJAGAW-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.40
Rot. Bonds9

About N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide

N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide (PubChem CID 110622094) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide
PubChem CID110622094
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide
SMILESCOc1ccccc1C(CNC(=O)CCC(=O)c1cccnc1)N1CCCCC1
InChIInChI=1S/C23H29N3O3/c1-29-22-10-4-3-9-19(22)20(26-14-5-2-6-15-26)17-25-23(28)12-11-21(27)18-8-7-13-24-16-18/h3-4,7-10,13,16,20H,2,5-6,11-12,14-15,17H2,1H3,(H,25,28)
InChIKeyASYWOMROOJAGAW-UHFFFAOYSA-N
XLogP3.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide
CID 110620637
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110621715
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
N-[2-[[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 34937128
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
4-(4-methoxyphenyl)-4-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)butanamide
CID 110406744
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-propanoylphenoxy)acetamide
CID 55888026
2-(2-methoxyethylamino)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide;dihydrochloride
CID 119849351
2-(2-fluorophenyl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 34936220
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 78791262
3-amino-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
CID 55950744
2-(4-ethoxyphenyl)-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112504054

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide (CID 110622094) is N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide is COc1ccccc1C(CNC(=O)CCC(=O)c1cccnc1)N1CCCCC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide?
The InChIKey is ASYWOMROOJAGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-29-22-10-4-3-9-19(22)20(26-14-5-2-6-15-26)17-25-23(28)12-11-21(27)18-8-7-13-24-16-18/h3-4,7-10,13,16,20H,2,5-6,11-12,14-15,17H2,1H3,(H,25,28).
What are the key properties of N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide?
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide has a molecular weight of 395.50 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-oxo-4-pyridin-3-ylbutanamide is sourced from PubChem (CID 110622094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).