(3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide

C25H26N4O3 — CID 129458524

IUPAC(3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESNC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C25H26N4O3/c26-24(31)25(22-9-4-5-15-27-22)14-6-16-29(18-25)17-23(30)28-19-10-12-21(13-11-19)32-20-7-2-1-3-8-20/h1-5,7-13,15H,6,14,16-18H2,(H2,26,31)(H,28,30)/t25-/m1/s1
InChIKeyUFHDHMQUROSJRQ-RUZDIDTESA-N
MW430.51 g/mol
LogP3.33
Rot. Bonds7

About (3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide

(3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 129458524) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is (3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID129458524
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name(3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESNC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1
InChIInChI=1S/C25H26N4O3/c26-24(31)25(22-9-4-5-15-27-22)14-6-16-29(18-25)17-23(30)28-19-10-12-21(13-11-19)32-20-7-2-1-3-8-20/h1-5,7-13,15H,6,14,16-18H2,(H2,26,31)(H,28,30)/t25-/m1/s1
InChIKeyUFHDHMQUROSJRQ-RUZDIDTESA-N
XLogP3.33
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[2-oxo-2-(4-pyridin-3-yloxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125026870
(3S)-1-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124959329
(3S)-1-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124986533
1-[2-[(1,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110152705
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
(3R)-1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124983698
1-[2-[4-(azepan-1-yl)anilino]-2-oxoethyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110152347
N-(4-phenoxyphenyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 46666451
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
1-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110152504
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-phenylacetamide
CID 115873944
(3aS,6aR)-2-[2-oxo-2-(4-phenoxyanilino)ethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120681616

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide (CID 129458524) is (3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide is NC(=O)[C@]1(c2ccccn2)CCCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1.
What is the InChIKey of (3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is UFHDHMQUROSJRQ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H26N4O3/c26-24(31)25(22-9-4-5-15-27-22)14-6-16-29(18-25)17-23(30)28-19-10-12-21(13-11-19)32-20-7-2-1-3-8-20/h1-5,7-13,15H,6,14,16-18H2,(H2,26,31)(H,28,30)/t25-/m1/s1.
What are the key properties of (3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
(3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-oxo-2-(4-phenoxyanilino)ethyl]-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 129458524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).