N-[(5-ethyl-2-pyridinyl)methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

C23H29N3O3 — CID 24817200

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)C2CCC(=O)N(Cc3cccc(OC)c3)C2)nc1
InChIInChI=1S/C23H29N3O3/c1-4-17-8-10-20(24-13-17)16-25(2)23(28)19-9-11-22(27)26(15-19)14-18-6-5-7-21(12-18)29-3/h5-8,10,12-13,19H,4,9,11,14-16H2,1-3H3
InChIKeyPAPYFRKPUXYZEW-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.05
Rot. Bonds7

About N-[(5-ethyl-2-pyridinyl)methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

N-[(5-ethyl-2-pyridinyl)methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 24817200) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID24817200
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)C2CCC(=O)N(Cc3cccc(OC)c3)C2)nc1
InChIInChI=1S/C23H29N3O3/c1-4-17-8-10-20(24-13-17)16-25(2)23(28)19-9-11-22(27)26(15-19)14-18-6-5-7-21(12-18)29-3/h5-8,10,12-13,19H,4,9,11,14-16H2,1-3H3
InChIKeyPAPYFRKPUXYZEW-UHFFFAOYSA-N
XLogP3.05
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide (CID 24817200) is N-[(5-ethyl-2-pyridinyl)methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide is CCc1ccc(CN(C)C(=O)C2CCC(=O)N(Cc3cccc(OC)c3)C2)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is PAPYFRKPUXYZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-17-8-10-20(24-13-17)16-25(2)23(28)19-9-11-22(27)26(15-19)14-18-6-5-7-21(12-18)29-3/h5-8,10,12-13,19H,4,9,11,14-16H2,1-3H3.
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
N-[(5-ethyl-2-pyridinyl)methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24817200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).