N-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide

C17H18ClN5O3 — CID 138037299

IUPACN-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cc(=O)[nH]cn2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C17H18ClN5O3/c18-12-3-1-2-4-13(12)21-16(25)10-22-5-7-23(8-6-22)17(26)14-9-15(24)20-11-19-14/h1-4,9,11H,5-8,10H2,(H,21,25)(H,19,20,24)
InChIKeyVPLJTNQSJUEMIP-UHFFFAOYSA-N
MW375.82 g/mol
LogP0.82
Rot. Bonds4

About N-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide (PubChem CID 138037299) has the molecular formula C17H18ClN5O3 and a molecular weight of 375.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide
PubChem CID138037299
Molecular FormulaC17H18ClN5O3
Molecular Weight375.82 g/mol
Exact Mass375.11
IUPAC NameN-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cc(=O)[nH]cn2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C17H18ClN5O3/c18-12-3-1-2-4-13(12)21-16(25)10-22-5-7-23(8-6-22)17(26)14-9-15(24)20-11-19-14/h1-4,9,11H,5-8,10H2,(H,21,25)(H,19,20,24)
InChIKeyVPLJTNQSJUEMIP-UHFFFAOYSA-N
XLogP0.82
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-chlorophenyl)-2-[4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 31333305
2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
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2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
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2-[4-(6-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
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N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
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2-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 8749038

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide (CID 138037299) is N-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)c2cc(=O)[nH]cn2)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is VPLJTNQSJUEMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3/c18-12-3-1-2-4-13(12)21-16(25)10-22-5-7-23(8-6-22)17(26)14-9-15(24)20-11-19-14/h1-4,9,11H,5-8,10H2,(H,21,25)(H,19,20,24).
What are the key properties of N-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 375.82 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 138037299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).