1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one

C20H25ClN2O — CID 25195461

IUPAC1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one
SMILESCCCCn1ccc(N2CCC(c3ccccc3)CC2)c(Cl)c1=O
InChIInChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3
InChIKeyHYOGJHCDLQSAHX-UHFFFAOYSA-N
MW344.89 g/mol
LogP4.69
Rot. Bonds5

About 1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one

1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one (PubChem CID 25195461) has the molecular formula C20H25ClN2O and a molecular weight of 344.89 g/mol. Its IUPAC name is 1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one.

Molecular Properties

Compound Name1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one
PubChem CID25195461
Molecular FormulaC20H25ClN2O
Molecular Weight344.89 g/mol
Exact Mass344.17
IUPAC Name1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one
SMILESCCCCn1ccc(N2CCC(c3ccccc3)CC2)c(Cl)c1=O
InChIInChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3
InChIKeyHYOGJHCDLQSAHX-UHFFFAOYSA-N
XLogP4.69
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3H)Jnj-40068782
CID 59234231
1-(3-Methylbutyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
CID 59234239
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
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
1-(2-Cyclopropylethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
CID 118714745
2-Oxo-4-(4-phenylpiperidin-1-yl)-1-(4,4,4-trifluorobutyl)pyridine-3-carbonitrile
CID 118714746
1-(Cyclopropylmethyl)-4-[4-(2-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile
CID 118714747

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one?
The IUPAC name of 1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one (CID 25195461) is 1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one.
What is the SMILES notation for 1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one?
The canonical SMILES for 1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one is CCCCn1ccc(N2CCC(c3ccccc3)CC2)c(Cl)c1=O.
What is the InChIKey of 1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one?
The InChIKey is HYOGJHCDLQSAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3.
What are the key properties of 1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one?
1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one has a molecular weight of 344.89 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one is sourced from PubChem (CID 25195461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).