1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide

C20H23N3O3 — CID 39898355

IUPAC1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccccc3)CCN(C(C)=O)CC2)cn1
InChIInChI=1S/C20H23N3O3/c1-15(24)23-12-10-20(11-13-23,16-6-4-3-5-7-16)19(25)22-17-8-9-18(26-2)21-14-17/h3-9,14H,10-13H2,1-2H3,(H,22,25)
InChIKeyOCRASHINACORQG-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.61
Rot. Bonds4

About 1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide

1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide (PubChem CID 39898355) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide
PubChem CID39898355
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2(c3ccccc3)CCN(C(C)=O)CC2)cn1
InChIInChI=1S/C20H23N3O3/c1-15(24)23-12-10-20(11-13-23,16-6-4-3-5-7-16)19(25)22-17-8-9-18(26-2)21-14-17/h3-9,14H,10-13H2,1-2H3,(H,22,25)
InChIKeyOCRASHINACORQG-UHFFFAOYSA-N
XLogP2.61
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-(6-propan-2-yloxy-3-pyridinyl)cyclopropane-1-carboxamide
CID 100782315
1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 75460001
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpiperidine-4-carboxamide
CID 9141961
1-acetyl-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-phenylpiperidine-4-carboxamide
CID 134023672
1-acetyl-N-[2-(4-bromoanilino)-2-oxoethyl]-4-phenylpiperidine-4-carboxamide
CID 55879768
N-[6-(4-methylphenoxy)-3-pyridinyl]-4-phenyloxane-4-carboxamide
CID 55787731
1-acetyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 39888148
N-(2-methoxypyrimidin-5-yl)-4-phenyloxane-4-carboxamide
CID 122301497
N-(5-acetamido-2-pyridinyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 139002277
N-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
CID 10131986
N-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide
CID 100779083
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-phenylcyclopropane-1-carboxamide
CID 31908123

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide (CID 39898355) is 1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide is COc1ccc(NC(=O)C2(c3ccccc3)CCN(C(C)=O)CC2)cn1.
What is the InChIKey of 1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide?
The InChIKey is OCRASHINACORQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15(24)23-12-10-20(11-13-23,16-6-4-3-5-7-16)19(25)22-17-8-9-18(26-2)21-14-17/h3-9,14H,10-13H2,1-2H3,(H,22,25).
What are the key properties of 1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide?
1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 39898355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).