N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide

C14H20F2N4O2 — CID 175648253

IUPACN-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCn1cnc(N2CCC(CC(=O)NCC(F)F)CC2)cc1=O
InChIInChI=1S/C14H20F2N4O2/c1-19-9-18-12(7-14(19)22)20-4-2-10(3-5-20)6-13(21)17-8-11(15)16/h7,9-11H,2-6,8H2,1H3,(H,17,21)
InChIKeyVQJKPYIQHIINKQ-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.77
Rot. Bonds5

About N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide

N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 175648253) has the molecular formula C14H20F2N4O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID175648253
Molecular FormulaC14H20F2N4O2
Molecular Weight314.34 g/mol
Exact Mass314.16
IUPAC NameN-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCn1cnc(N2CCC(CC(=O)NCC(F)F)CC2)cc1=O
InChIInChI=1S/C14H20F2N4O2/c1-19-9-18-12(7-14(19)22)20-4-2-10(3-5-20)6-13(21)17-8-11(15)16/h7,9-11H,2-6,8H2,1H3,(H,17,21)
InChIKeyVQJKPYIQHIINKQ-UHFFFAOYSA-N
XLogP0.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 136216738
4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136487742
N-[1-(2-amino-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]-4,4,4-trifluorobutanamide
CID 136663742
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957965
N-ethyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 139019818
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}-2,2-dimethylpropanamide
CID 165431797
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}acetamide
CID 165431804
6-{4-[2-(4,4-Difluoropiperidin-1-yl)-2-oxoethyl]piperidin-1-yl}-3-methyl-3,4-dihydropyrimidin-4-one
CID 171992922
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}cyclopropanecarboxamide
CID 175648121
N-(2,2-difluoroethyl)-2-[1-(1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperidin-4-yl]acetamide
CID 175648247
N-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)piperidine-3-carboxamide
CID 177802488
4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136557612

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide (CID 175648253) is N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide is Cn1cnc(N2CCC(CC(=O)NCC(F)F)CC2)cc1=O.
What is the InChIKey of N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is VQJKPYIQHIINKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O2/c1-19-9-18-12(7-14(19)22)20-4-2-10(3-5-20)6-13(21)17-8-11(15)16/h7,9-11H,2-6,8H2,1H3,(H,17,21).
What are the key properties of N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide?
N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 314.34 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-[1-(1-methyl-6-oxopyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 175648253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).