4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide

C19H25N5O — CID 71867499

IUPAC4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC(C)c2ccc(-c3cncnc3)cc2)CC1
InChIInChI=1S/C19H25N5O/c1-3-23-8-10-24(11-9-23)19(25)22-15(2)16-4-6-17(7-5-16)18-12-20-14-21-13-18/h4-7,12-15H,3,8-11H2,1-2H3,(H,22,25)
InChIKeyFJKDEANFOOFPIO-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.55
Rot. Bonds4

About 4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide

4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 71867499) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide
PubChem CID71867499
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC(C)c2ccc(-c3cncnc3)cc2)CC1
InChIInChI=1S/C19H25N5O/c1-3-23-8-10-24(11-9-23)19(25)22-15(2)16-4-6-17(7-5-16)18-12-20-14-21-13-18/h4-7,12-15H,3,8-11H2,1-2H3,(H,22,25)
InChIKeyFJKDEANFOOFPIO-UHFFFAOYSA-N
XLogP2.55
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]morpholine-4-carboxamide
CID 96566193
N-[1-(1-benzylpyrazol-4-yl)ethyl]-4-ethylpiperazine-1-carboxamide
CID 75390241
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 94647353
N-(1-phenylethyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 113103532
2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 40813283
2-hydroxy-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]cyclopentane-1-carboxamide
CID 110016061
4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide
CID 86999696
4-ethyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-1-carboxamide
CID 71917758
4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide
CID 110894921
1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea
CID 71867503
1-[(2S)-1-hydroxy-2-methylpentan-2-yl]-3-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]urea
CID 97048870
1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea
CID 71867501

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide (CID 71867499) is 4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide is CCN1CCN(C(=O)NC(C)c2ccc(-c3cncnc3)cc2)CC1.
What is the InChIKey of 4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is FJKDEANFOOFPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-3-23-8-10-24(11-9-23)19(25)22-15(2)16-4-6-17(7-5-16)18-12-20-14-21-13-18/h4-7,12-15H,3,8-11H2,1-2H3,(H,22,25).
What are the key properties of 4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide?
4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 71867499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).