1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide

C27H29N3O3 — CID 126473165

IUPAC1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC(C(=O)NC(c3ccccc3)c3ccccn3)CC2)cc1
InChIInChI=1S/C27H29N3O3/c1-33-23-12-10-20(11-13-23)19-25(31)30-17-14-22(15-18-30)27(32)29-26(21-7-3-2-4-8-21)24-9-5-6-16-28-24/h2-13,16,22,26H,14-15,17-19H2,1H3,(H,29,32)
InChIKeyGOVMMPWZBDLXDF-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.78
Rot. Bonds7

About 1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide

1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 126473165) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
PubChem CID126473165
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC(C(=O)NC(c3ccccc3)c3ccccn3)CC2)cc1
InChIInChI=1S/C27H29N3O3/c1-33-23-12-10-20(11-13-23)19-25(31)30-17-14-22(15-18-30)27(32)29-26(21-7-3-2-4-8-21)24-9-5-6-16-28-24/h2-13,16,22,26H,14-15,17-19H2,1H3,(H,29,32)
InChIKeyGOVMMPWZBDLXDF-UHFFFAOYSA-N
XLogP3.78
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxyethyl 4-[[(4-methoxyphenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate
CID 126475457
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
N-[(S)-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-pyridin-2-ylmethyl]acetamide
CID 92550244
N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126475743
1-benzoyl-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 126471673
N-butan-2-yl-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 113002840
1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 137423471
1-[2-(4-methoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420386
1-[2-(4-methoxyphenyl)acetyl]-N-propylpiperidine-4-carboxamide
CID 113002396
1-(2-phenylacetyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004094
N-(2-methoxyphenyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 33344202
1-N-benzyl-4-N-[(4-fluorophenyl)-pyridin-2-ylmethyl]piperidine-1,4-dicarboxamide
CID 126475651

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide (CID 126473165) is 1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide is COc1ccc(CC(=O)N2CCC(C(=O)NC(c3ccccc3)c3ccccn3)CC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is GOVMMPWZBDLXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-33-23-12-10-20(11-13-23)19-25(31)30-17-14-22(15-18-30)27(32)29-26(21-7-3-2-4-8-21)24-9-5-6-16-28-24/h2-13,16,22,26H,14-15,17-19H2,1H3,(H,29,32).
What are the key properties of 1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide?
1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)acetyl]-N-[phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 126473165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).