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

C21H23N3O — CID 59234231

IUPAC1-(cyclopropylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC(c3ccccc3)CC2)ccn(CC2CC2)c1=O
InChIInChI=1S/C21H23N3O/c22-14-19-20(10-13-24(21(19)25)15-16-6-7-16)23-11-8-18(9-12-23)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,15H2
InChIKeyRVRHQHDKALSKLY-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.51
Rot. Bonds4

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

1-(cyclopropylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile (PubChem CID 59234231) has the molecular formula C21H23N3O and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
PubChem CID59234231
Molecular FormulaC21H23N3O
Molecular Weight333.43 g/mol
Exact Mass333.18
IUPAC Name1-(cyclopropylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC(c3ccccc3)CC2)ccn(CC2CC2)c1=O
InChIInChI=1S/C21H23N3O/c22-14-19-20(10-13-24(21(19)25)15-16-6-7-16)23-11-8-18(9-12-23)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,15H2
InChIKeyRVRHQHDKALSKLY-UHFFFAOYSA-N
XLogP3.51
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Jnj-40411813
CID 25195461
4,6-Dimethyl-1-(2-methylbenzyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 5000326
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
4-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(3-methylbutyl)-2-oxopyridine-3-carbonitrile
CID 118714736
1-Butyl-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
CID 118714742
1-(2-Methylpropyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
CID 118714743
1-(Cyclobutylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
CID 118714744

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 1-(cyclopropylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile (CID 59234231) is 1-(cyclopropylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 1-(cyclopropylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile is N#Cc1c(N2CCC(c3ccccc3)CC2)ccn(CC2CC2)c1=O.
What is the InChIKey of 1-(cyclopropylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
The InChIKey is RVRHQHDKALSKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c22-14-19-20(10-13-24(21(19)25)15-16-6-7-16)23-11-8-18(9-12-23)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,15H2.
What are the key properties of 1-(cyclopropylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile?
1-(cyclopropylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile has a molecular weight of 333.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 59234231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).