N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide

C23H25N5O — CID 53104085

IUPACN-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1
InChIInChI=1S/C23H25N5O/c1-2-18-8-10-20(11-9-18)26-23(29)28-14-12-27(13-15-28)22-16-21(24-17-25-22)19-6-4-3-5-7-19/h3-11,16-17H,2,12-15H2,1H3,(H,26,29)
InChIKeyFOGCBTGOQQPXEJ-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.06
Rot. Bonds4

About N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide

N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 53104085) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID53104085
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1
InChIInChI=1S/C23H25N5O/c1-2-18-8-10-20(11-9-18)26-23(29)28-14-12-27(13-15-28)22-16-21(24-17-25-22)19-6-4-3-5-7-19/h3-11,16-17H,2,12-15H2,1H3,(H,26,29)
InChIKeyFOGCBTGOQQPXEJ-UHFFFAOYSA-N
XLogP4.06
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethylphenyl)-[4-[6-(4-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 50841152
N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334280
cyclopropyl-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516549
3-chloro-2,2-dimethyl-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 108759625
1-(4-ethylphenyl)-3-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90545509
N-(3,5-dimethylphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53010087
N-(3-chloro-4-fluorophenyl)-4-[6-(3-fluorophenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53104042
N-(2-methoxyphenyl)-4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 53103891
4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 11015336
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 121106852

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide (CID 53104085) is N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide is CCc1ccc(NC(=O)N2CCN(c3cc(-c4ccccc4)ncn3)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is FOGCBTGOQQPXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-2-18-8-10-20(11-9-18)26-23(29)28-14-12-27(13-15-28)22-16-21(24-17-25-22)19-6-4-3-5-7-19/h3-11,16-17H,2,12-15H2,1H3,(H,26,29).
What are the key properties of N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide?
N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 53104085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).