N-(3,4-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide

C18H20F2N4O — CID 47045111

IUPACN-(3,4-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(c2ncccn2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H20F2N4O/c1-2-24(14-4-5-15(19)16(20)12-14)17(25)13-6-10-23(11-7-13)18-21-8-3-9-22-18/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3
InChIKeyAWCAGKFUVIDWMQ-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.02
Rot. Bonds4

About N-(3,4-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-(3,4-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 47045111) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID47045111
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC NameN-(3,4-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1CCN(c2ncccn2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H20F2N4O/c1-2-24(14-4-5-15(19)16(20)12-14)17(25)13-6-10-23(11-7-13)18-21-8-3-9-22-18/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3
InChIKeyAWCAGKFUVIDWMQ-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-ethyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 33005231
(3R)-1-(4-cyano-2-fluorophenyl)-N-ethyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 129487311
1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 167980780
(3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 39692566
N-(3,4-difluorophenyl)-N-ethyl-4-fluoropyrrolidine-2-carboxamide
CID 165157842
N-ethyl-N-phenyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600377
N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206
N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 90349890
N,N-bis(2-cyanoethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 51095520
(3S)-N-(4-chloro-3-fluorophenyl)-N-ethyloxolane-3-carboxamide
CID 129433195
2-amino-N-(3,4-difluorophenyl)-N-ethylacetamide
CID 28794968
1-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]propan-1-one
CID 83981617

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 47045111) is N-(3,4-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide is CCN(C(=O)C1CCN(c2ncccn2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is AWCAGKFUVIDWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O/c1-2-24(14-4-5-15(19)16(20)12-14)17(25)13-6-10-23(11-7-13)18-21-8-3-9-22-18/h3-5,8-9,12-13H,2,6-7,10-11H2,1H3.
What are the key properties of N-(3,4-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-(3,4-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N-ethyl-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 47045111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).