1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide

C20H25N5O — CID 55992757

IUPAC1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCN1CCN(c2ncccn2)CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C20H25N5O/c26-18(20(7-8-20)17-5-2-1-3-6-17)21-11-12-24-13-15-25(16-14-24)19-22-9-4-10-23-19/h1-6,9-10H,7-8,11-16H2,(H,21,26)
InChIKeyLIGXXUVXBFSORV-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.45
Rot. Bonds6

About 1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide

1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 55992757) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID55992757
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCN1CCN(c2ncccn2)CC1)C1(c2ccccc2)CC1
InChIInChI=1S/C20H25N5O/c26-18(20(7-8-20)17-5-2-1-3-6-17)21-11-12-24-13-15-25(16-14-24)19-22-9-4-10-23-19/h1-6,9-10H,7-8,11-16H2,(H,21,26)
InChIKeyLIGXXUVXBFSORV-UHFFFAOYSA-N
XLogP1.45
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 22240919
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2-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 60545132
1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 30944923
(2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide
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N-(2-morpholin-4-ylethyl)-4-phenyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide (CID 55992757) is 1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide is O=C(NCCN1CCN(c2ncccn2)CC1)C1(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is LIGXXUVXBFSORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c26-18(20(7-8-20)17-5-2-1-3-6-17)21-11-12-24-13-15-25(16-14-24)19-22-9-4-10-23-19/h1-6,9-10H,7-8,11-16H2,(H,21,26).
What are the key properties of 1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide?
1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55992757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).