N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

C17H20FN5O — CID 27532293

IUPACN-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H20FN5O/c18-15-4-2-14(3-5-15)6-9-21-17(24)23-12-10-22(11-13-23)16-19-7-1-8-20-16/h1-5,7-8H,6,9-13H2,(H,21,24)
InChIKeyFTQRVBDSAPPDTO-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.69
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 27532293) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID27532293
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H20FN5O/c18-15-4-2-14(3-5-15)6-9-21-17(24)23-12-10-22(11-13-23)16-19-7-1-8-20-16/h1-5,7-8H,6,9-13H2,(H,21,24)
InChIKeyFTQRVBDSAPPDTO-UHFFFAOYSA-N
XLogP1.69
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-phenylethyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 119074881
N-[2-(4-fluorophenyl)ethyl]-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108977459
N-[2-(3-bromophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108901769
4-(2,6-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109230
N-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108891864
N-[(4-fluorophenyl)methyl]-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108946407
4-(2-cyanophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109233
4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109182
N-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108902115
N-[(2R)-1-[2-(3-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 96563957
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine
CID 111230461
N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 108902217

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 27532293) is N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is O=C(NCCc1ccc(F)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is FTQRVBDSAPPDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c18-15-4-2-14(3-5-15)6-9-21-17(24)23-12-10-22(11-13-23)16-19-7-1-8-20-16/h1-5,7-8H,6,9-13H2,(H,21,24).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 27532293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).