(3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

C25H27N3O2 — CID 42199128

IUPAC(3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C25H27N3O2/c29-25(21-10-7-16-28(19-21)17-14-20-8-2-1-3-9-20)27-23-12-4-5-13-24(23)30-22-11-6-15-26-18-22/h1-6,8-9,11-13,15,18,21H,7,10,14,16-17,19H2,(H,27,29)/t21-/m1/s1
InChIKeyUMDWUBFPGJPKCT-OAQYLSRUSA-N
MW401.51 g/mol
LogP4.77
Rot. Bonds7

About (3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

(3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 42199128) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is (3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
PubChem CID42199128
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name(3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C25H27N3O2/c29-25(21-10-7-16-28(19-21)17-14-20-8-2-1-3-9-20)27-23-12-4-5-13-24(23)30-22-11-6-15-26-18-22/h1-6,8-9,11-13,15,18,21H,7,10,14,16-17,19H2,(H,27,29)/t21-/m1/s1
InChIKeyUMDWUBFPGJPKCT-OAQYLSRUSA-N
XLogP4.77
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 45206101
(3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 25275507
(3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 42101490
(3R)-1-[(5-ethylfuran-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 25288806
1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 45233230
(3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 25289271
(2R)-1-methyl-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 51904119
1-(1H-imidazole-5-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 45230988
N-(2-pyridin-3-yloxyphenyl)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxamide
CID 45218608
(3S)-1-(6-methylpyrimidin-4-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 97273822
(3S)-1-(4-cyano-2-pyridinyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 97275244
1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 45185070

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (CID 42199128) is (3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN(CCc2ccccc2)C1.
What is the InChIKey of (3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is UMDWUBFPGJPKCT-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H27N3O2/c29-25(21-10-7-16-28(19-21)17-14-20-8-2-1-3-9-20)27-23-12-4-5-13-24(23)30-22-11-6-15-26-18-22/h1-6,8-9,11-13,15,18,21H,7,10,14,16-17,19H2,(H,27,29)/t21-/m1/s1.
What are the key properties of (3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
(3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 42199128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).