N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

C17H20ClN5O — CID 24587396

IUPACN-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ncccn2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C17H20ClN5O/c18-14-4-1-2-5-15(14)21-16(24)6-9-22-10-12-23(13-11-22)17-19-7-3-8-20-17/h1-5,7-8H,6,9-13H2,(H,21,24)
InChIKeyJHIBCKYIMCCCMX-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.28
Rot. Bonds5

About N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (PubChem CID 24587396) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
PubChem CID24587396
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC NameN-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ncccn2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C17H20ClN5O/c18-14-4-1-2-5-15(14)21-16(24)6-9-22-10-12-23(13-11-22)17-19-7-3-8-20-17/h1-5,7-8H,6,9-13H2,(H,21,24)
InChIKeyJHIBCKYIMCCCMX-UHFFFAOYSA-N
XLogP2.28
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanamide
CID 30138028
N-(2-tert-butylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
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3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
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N-(2-chlorophenyl)-3-pyrrolidin-1-ylpropanamide;oxalic acid
CID 171154554
3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
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N-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030558
N-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propanamide
CID 43340912
N-(4-cyanophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 33473460
3-(2-chloroanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
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N-(4-bromo-2-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469671
N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78963268
N-(1-phenylethyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 24588722

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (CID 24587396) is N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is O=C(CCN1CCN(c2ncccn2)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is JHIBCKYIMCCCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O/c18-14-4-1-2-5-15(14)21-16(24)6-9-22-10-12-23(13-11-22)17-19-7-3-8-20-17/h1-5,7-8H,6,9-13H2,(H,21,24).
What are the key properties of N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 345.83 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 24587396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).