4-methyl-1-(3-methylbutyl)-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one

C18H25F3N2O3 — CID 172668959

IUPAC4-methyl-1-(3-methylbutyl)-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)N1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C18H25F3N2O3/c1-12(2)4-8-22-9-5-13(3)15(16(22)24)17(25)23-10-6-14(7-11-23)26-18(19,20)21/h5,9,12,14H,4,6-8,10-11H2,1-3H3
InChIKeyKBIZRJOPLVPHRZ-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.34
Rot. Bonds5

About 4-methyl-1-(3-methylbutyl)-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one

4-methyl-1-(3-methylbutyl)-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one (PubChem CID 172668959) has the molecular formula C18H25F3N2O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-methyl-1-(3-methylbutyl)-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-(3-methylbutyl)-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one
PubChem CID172668959
Molecular FormulaC18H25F3N2O3
Molecular Weight374.40 g/mol
Exact Mass374.18
IUPAC Name4-methyl-1-(3-methylbutyl)-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)N1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C18H25F3N2O3/c1-12(2)4-8-22-9-5-13(3)15(16(22)24)17(25)23-10-6-14(7-11-23)26-18(19,20)21/h5,9,12,14H,4,6-8,10-11H2,1-3H3
InChIKeyKBIZRJOPLVPHRZ-UHFFFAOYSA-N
XLogP3.34
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylbutyl)-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 4-methyl-1-(3-methylbutyl)-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one (CID 172668959) is 4-methyl-1-(3-methylbutyl)-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-(3-methylbutyl)-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-(3-methylbutyl)-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one is Cc1ccn(CCC(C)C)c(=O)c1C(=O)N1CCC(OC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-(3-methylbutyl)-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one?
The InChIKey is KBIZRJOPLVPHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O3/c1-12(2)4-8-22-9-5-13(3)15(16(22)24)17(25)23-10-6-14(7-11-23)26-18(19,20)21/h5,9,12,14H,4,6-8,10-11H2,1-3H3.
What are the key properties of 4-methyl-1-(3-methylbutyl)-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one?
4-methyl-1-(3-methylbutyl)-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 374.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylbutyl)-3-[4-(trifluoromethoxy)piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 172668959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).