N-(1-phenylethyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C21H25N5O2 — CID 108975381

IUPACN-(1-phenylethyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(C(=O)N2CCN(c3ncccn3)CC2)CC1)c1ccccc1
InChIInChI=1S/C21H25N5O2/c1-16(17-6-3-2-4-7-17)24-18(27)21(8-9-21)19(28)25-12-14-26(15-13-25)20-22-10-5-11-23-20/h2-7,10-11,16H,8-9,12-15H2,1H3,(H,24,27)
InChIKeyJYDMBEIERNLIQW-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.78
Rot. Bonds5

About N-(1-phenylethyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-(1-phenylethyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108975381) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(1-phenylethyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108975381
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-(1-phenylethyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(C(=O)N2CCN(c3ncccn3)CC2)CC1)c1ccccc1
InChIInChI=1S/C21H25N5O2/c1-16(17-6-3-2-4-7-17)24-18(27)21(8-9-21)19(28)25-12-14-26(15-13-25)20-22-10-5-11-23-20/h2-7,10-11,16H,8-9,12-15H2,1H3,(H,24,27)
InChIKeyJYDMBEIERNLIQW-UHFFFAOYSA-N
XLogP1.78
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(azepane-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 108975396
N-(4-propan-2-ylphenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108979005
N-cyclopropyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108970652
N-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108979011
N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24588722
N-benzyl-N-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975526
N-(2-cyanophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108979029
N-(2,4-dimethylphenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978994
N-[1-(4-tert-butylphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60543582
1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide
CID 68623726
N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109188874
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1-phenylethyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 108975381) is N-(1-phenylethyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is CC(NC(=O)C1(C(=O)N2CCN(c3ncccn3)CC2)CC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is JYDMBEIERNLIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-16(17-6-3-2-4-7-17)24-18(27)21(8-9-21)19(28)25-12-14-26(15-13-25)20-22-10-5-11-23-20/h2-7,10-11,16H,8-9,12-15H2,1H3,(H,24,27).
What are the key properties of N-(1-phenylethyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-(1-phenylethyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108975381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).