N-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

C21H25N5O3 — CID 109136547

IUPACN-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC2C(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C21H25N5O3/c1-29-16-5-3-15(4-6-16)14-24-19(27)17-13-18(17)20(28)25-9-11-26(12-10-25)21-22-7-2-8-23-21/h2-8,17-18H,9-14H2,1H3,(H,24,27)
InChIKeyCYEIHMWDVRQLCB-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.09
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide

N-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109136547) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109136547
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC2C(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C21H25N5O3/c1-29-16-5-3-15(4-6-16)14-24-19(27)17-13-18(17)20(28)25-9-11-26(12-10-25)21-22-7-2-8-23-21/h2-8,17-18H,9-14H2,1H3,(H,24,27)
InChIKeyCYEIHMWDVRQLCB-UHFFFAOYSA-N
XLogP1.09
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109135029
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
N-[(2-fluorophenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135911
N-(4-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109139249
N-(pyridin-4-ylmethyl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109137199
N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424
N-cyclopropyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109130885
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109302990
N-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109139236
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109136562
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
(Z)-2-cyano-N-[(4-methoxyphenyl)methyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-enamide
CID 108840880

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide (CID 109136547) is N-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is COc1ccc(CNC(=O)C2CC2C(=O)N2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is CYEIHMWDVRQLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-29-16-5-3-15(4-6-16)14-24-19(27)17-13-18(17)20(28)25-9-11-26(12-10-25)21-22-7-2-8-23-21/h2-8,17-18H,9-14H2,1H3,(H,24,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide?
N-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109136547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).