1-butyl-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile

C21H25N3O — CID 118714742

IUPAC1-butyl-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESCCCCn1ccc(N2CCC(c3ccccc3)CC2)c(C#N)c1=O
InChIInChI=1S/C21H25N3O/c1-2-3-12-24-15-11-20(19(16-22)21(24)25)23-13-9-18(10-14-23)17-7-5-4-6-8-17/h4-8,11,15,18H,2-3,9-10,12-14H2,1H3
InChIKeyGSVFLIVBVQPBLW-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.90
Rot. Bonds5

About 1-butyl-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile

1-butyl-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile (PubChem CID 118714742) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-butyl-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-butyl-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
PubChem CID118714742
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name1-butyl-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESCCCCn1ccc(N2CCC(c3ccccc3)CC2)c(C#N)c1=O
InChIInChI=1S/C21H25N3O/c1-2-3-12-24-15-11-20(19(16-22)21(24)25)23-13-9-18(10-14-23)17-7-5-4-6-8-17/h4-8,11,15,18H,2-3,9-10,12-14H2,1H3
InChIKeyGSVFLIVBVQPBLW-UHFFFAOYSA-N
XLogP3.90
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Jnj-40411813
CID 25195461
(3H)Jnj-40068782
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CID 5000326
1-Ethyl-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile
CID 1487453
1-(3-Methylbutyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
CID 59234239
1-(3-Methylbutyl)-2-oxo-4-(2-phenylethyl)pyridine-3-carbonitrile
CID 59391336
1-(Cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-one
CID 59497075
3-Chloro-1-(cyclopropylmethyl)-4-(4-phenyl-1-piperidinyl)-2(1H)-pyridinone
CID 59497100
3-Chloro-1-(2-methylpropyl)-4-(4-phenyl-1-piperidinyl)-2(1H)-pyridinone
CID 118263352
1-(Cyclopropylmethyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile
CID 118714749
2-Acetyl-6-amino-8-(2-phenylethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
CID 650957
4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
CID 118714736

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 1-butyl-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile (CID 118714742) is 1-butyl-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-butyl-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 1-butyl-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile is CCCCn1ccc(N2CCC(c3ccccc3)CC2)c(C#N)c1=O.
What is the InChIKey of 1-butyl-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is GSVFLIVBVQPBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-2-3-12-24-15-11-20(19(16-22)21(24)25)23-13-9-18(10-14-23)17-7-5-4-6-8-17/h4-8,11,15,18H,2-3,9-10,12-14H2,1H3.
What are the key properties of 1-butyl-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
1-butyl-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 335.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 118714742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).