4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide

C20H23N5O — CID 159867940

IUPAC4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3ncnc4c3C=CC4)CC2)cc1
InChIInChI=1S/C20H23N5O/c1-2-15-6-8-16(9-7-15)23-20(26)25-12-10-24(11-13-25)19-17-4-3-5-18(17)21-14-22-19/h3-4,6-9,14H,2,5,10-13H2,1H3,(H,23,26)
InChIKeyNRYVBHUMUJLYGL-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.96
Rot. Bonds3

About 4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide

4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide (PubChem CID 159867940) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
PubChem CID159867940
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3ncnc4c3C=CC4)CC2)cc1
InChIInChI=1S/C20H23N5O/c1-2-15-6-8-16(9-7-15)23-20(26)25-12-10-24(11-13-25)19-17-4-3-5-18(17)21-14-22-19/h3-4,6-9,14H,2,5,10-13H2,1H3,(H,23,26)
InChIKeyNRYVBHUMUJLYGL-UHFFFAOYSA-N
XLogP2.96
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 11015336
N-(4-ethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113112168
N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334280
N-(4-ethylphenyl)-4-(6-phenylpyrimidin-4-yl)piperazine-1-carboxamide
CID 53104085
N-(4-ethylphenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83274086
4-(2-cyanophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 113112174
N-(4-ethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122331982
4-(2-cyanoacetyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 166250869
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104950
N-(4-ethylphenyl)-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 56921616
4-(3-chloro-4-fluorophenyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 113112138

Frequently Asked Questions

What is the IUPAC name of 4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide (CID 159867940) is 4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide is CCc1ccc(NC(=O)N2CCN(c3ncnc4c3C=CC4)CC2)cc1.
What is the InChIKey of 4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
The InChIKey is NRYVBHUMUJLYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-15-6-8-16(9-7-15)23-20(26)25-12-10-24(11-13-25)19-17-4-3-5-18(17)21-14-22-19/h3-4,6-9,14H,2,5,10-13H2,1H3,(H,23,26).
What are the key properties of 4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 159867940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).