5-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

C19H21F2N3O2 — CID 56864886

IUPAC5-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCCC(CCc3ccc(F)c(F)c3)C2)c(=O)[nH]1
InChIInChI=1S/C19H21F2N3O2/c1-12-22-10-15(18(25)23-12)19(26)24-8-2-3-14(11-24)5-4-13-6-7-16(20)17(21)9-13/h6-7,9-10,14H,2-5,8,11H2,1H3,(H,22,23,25)
InChIKeyQEFJMUPACIGMAY-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.84
Rot. Bonds4

About 5-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

5-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 56864886) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 5-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID56864886
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name5-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C(=O)N2CCCC(CCc3ccc(F)c(F)c3)C2)c(=O)[nH]1
InChIInChI=1S/C19H21F2N3O2/c1-12-22-10-15(18(25)23-12)19(26)24-8-2-3-14(11-24)5-4-13-6-7-16(20)17(21)9-13/h6-7,9-10,14H,2-5,8,11H2,1H3,(H,22,23,25)
InChIKeyQEFJMUPACIGMAY-UHFFFAOYSA-N
XLogP2.84
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-4-oxo-N-(1-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16010494
4-Oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylic acid phenethyl-amide
CID 750142
9-methyl-4-oxo-N-(2-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16033060
9-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16033062
9-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16033063
2-hydroxy-8-methyl-4-oxo-N-(2-phenylethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458483
N-[(4-Fluorophenyl)methyl]-8-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
CID 20878685
N-[(3-Fluorophenyl)methyl]-9-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
CID 16033082
N-[2-(4-fluorophenyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614704
5-({3-[2-(2-fluorophenyl)ethyl]-1-piperidinyl}carbonyl)-2-isopropyl-4(3H)-pyrimidinone
CID 56865757
2-methyl-5-{[4-(3-methylbenzyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56882008
2-cyclopropyl-5-{[4-(2-methylbenzyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56906110

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (CID 56864886) is 5-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is Cc1ncc(C(=O)N2CCCC(CCc3ccc(F)c(F)c3)C2)c(=O)[nH]1.
What is the InChIKey of 5-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is QEFJMUPACIGMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-12-22-10-15(18(25)23-12)19(26)24-8-2-3-14(11-24)5-4-13-6-7-16(20)17(21)9-13/h6-7,9-10,14H,2-5,8,11H2,1H3,(H,22,23,25).
What are the key properties of 5-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
5-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 361.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 56864886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).