1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-one

C21H23F3N2O — CID 59497075

IUPAC1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)c(N2CCC(c3ccccc3)CC2)ccn1CC1CC1
InChIInChI=1S/C21H23F3N2O/c22-21(23,24)19-18(10-13-26(20(19)27)14-15-6-7-15)25-11-8-17(9-12-25)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2
InChIKeyUTDUPZRTTJVHAB-UHFFFAOYSA-N
MW376.42 g/mol
LogP4.66
Rot. Bonds4

About 1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-one

1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-one (PubChem CID 59497075) has the molecular formula C21H23F3N2O and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-one
PubChem CID59497075
Molecular FormulaC21H23F3N2O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)c(N2CCC(c3ccccc3)CC2)ccn1CC1CC1
InChIInChI=1S/C21H23F3N2O/c22-21(23,24)19-18(10-13-26(20(19)27)14-15-6-7-15)25-11-8-17(9-12-25)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2
InChIKeyUTDUPZRTTJVHAB-UHFFFAOYSA-N
XLogP4.66
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-one (CID 59497075) is 1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-one is O=c1c(C(F)(F)F)c(N2CCC(c3ccccc3)CC2)ccn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is UTDUPZRTTJVHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O/c22-21(23,24)19-18(10-13-26(20(19)27)14-15-6-7-15)25-11-8-17(9-12-25)16-4-2-1-3-5-16/h1-5,10,13,15,17H,6-9,11-12,14H2.
What are the key properties of 1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-one?
1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 376.42 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 59497075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).