(3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

C26H27N3O3 — CID 92575331

IUPAC(3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C26H27N3O3/c27-25(31)26(16-20-8-4-5-12-23(20)21-9-6-14-28-17-21)13-7-15-29(19-26)24(30)18-32-22-10-2-1-3-11-22/h1-6,8-12,14,17H,7,13,15-16,18-19H2,(H2,27,31)/t26-/m0/s1
InChIKeyNFJIHWUKNIYGAO-SANMLTNESA-N
MW429.52 g/mol
LogP3.46
Rot. Bonds7

About (3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

(3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 92575331) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is (3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID92575331
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name(3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C26H27N3O3/c27-25(31)26(16-20-8-4-5-12-23(20)21-9-6-14-28-17-21)13-7-15-29(19-26)24(30)18-32-22-10-2-1-3-11-22/h1-6,8-12,14,17H,7,13,15-16,18-19H2,(H2,27,31)/t26-/m0/s1
InChIKeyNFJIHWUKNIYGAO-SANMLTNESA-N
XLogP3.46
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-methyl-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609418
(3R)-1-(2-phenylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92574350
1-(2-phenoxyacetyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 129360841
(3S)-1-(2-methoxybenzoyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92601128
(3S)-1-benzyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92574804
1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110243797
(3R)-N-methyl-1-(2-phenoxyacetyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609411
(3R)-N-methyl-1-(2-phenylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609431
(3S)-N-methyl-1-(2-phenoxyacetyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609749
(3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609452
(3S)-1-[2-(4-ethoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92593612
(3R)-1-(3-methylbutanoyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92578913

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (CID 92575331) is (3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)COc2ccccc2)C1.
What is the InChIKey of (3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is NFJIHWUKNIYGAO-SANMLTNESA-N. The full InChI is InChI=1S/C26H27N3O3/c27-25(31)26(16-20-8-4-5-12-23(20)21-9-6-14-28-17-21)13-7-15-29(19-26)24(30)18-32-22-10-2-1-3-11-22/h1-6,8-12,14,17H,7,13,15-16,18-19H2,(H2,27,31)/t26-/m0/s1.
What are the key properties of (3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
(3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 92575331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).