1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile

C24H20ClN3O2 — CID 44756891

IUPAC1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H20ClN3O2/c25-19-8-10-20(11-9-19)30-22-21(7-4-14-27-22)23(29)28-15-12-24(17-26,13-16-28)18-5-2-1-3-6-18/h1-11,14H,12-13,15-16H2
InChIKeyKQZPLOSVSOWFEO-UHFFFAOYSA-N
MW417.90 g/mol
LogP5.22
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile

1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 44756891) has the molecular formula C24H20ClN3O2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile
PubChem CID44756891
Molecular FormulaC24H20ClN3O2
Molecular Weight417.90 g/mol
Exact Mass417.12
IUPAC Name1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H20ClN3O2/c25-19-8-10-20(11-9-19)30-22-21(7-4-14-27-22)23(29)28-15-12-24(17-26,13-16-28)18-5-2-1-3-6-18/h1-11,14H,12-13,15-16H2
InChIKeyKQZPLOSVSOWFEO-UHFFFAOYSA-N
XLogP5.22
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.90
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)pyridine-3-carboxylic acid
CID 609454
(4-methylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 21019677
[2-(4-methylphenoxy)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 101054143
[4-[3-[bis(4-chlorophenyl)methoxy]propyl]piperazin-1-yl]-[2-(4-chlorophenoxy)-3-pyridinyl]methanone
CID 46081276
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 55519855
2-(4-chlorophenoxy)pyridine-3-carboxamide
CID 2774902
2-[4-[2-(4-chlorophenoxy)pyridine-3-carbonyl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442664
1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile
CID 74239752
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 23903349
[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 6976014
S-(4-chlorophenyl) 2-phenoxypyridine-3-carbothioate
CID 2797684
N-[1-(2-phenoxypyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 2810680

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile (CID 44756891) is 1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is KQZPLOSVSOWFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2/c25-19-8-10-20(11-9-19)30-22-21(7-4-14-27-22)23(29)28-15-12-24(17-26,13-16-28)18-5-2-1-3-6-18/h1-11,14H,12-13,15-16H2.
What are the key properties of 1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile?
1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 417.90 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 44756891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).