N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

C15H16ClN5O — CID 646916

IUPACN-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H16ClN5O/c16-12-3-1-4-13(11-12)19-15(22)21-9-7-20(8-10-21)14-17-5-2-6-18-14/h1-6,11H,7-10H2,(H,19,22)
InChIKeyKTXQQGVQNJZXLQ-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.48
Rot. Bonds2

About N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 646916) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID646916
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC NameN-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H16ClN5O/c16-12-3-1-4-13(11-12)19-15(22)21-9-7-20(8-10-21)14-17-5-2-6-18-14/h1-6,11H,7-10H2,(H,19,22)
InChIKeyKTXQQGVQNJZXLQ-UHFFFAOYSA-N
XLogP2.48
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397197
1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide
CID 167975602
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586
N-(3-chlorophenyl)-4-(6-piperidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334555
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019972
N-(3-chlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 8542873
N-(3-chlorophenyl)-4-oxo-13-pyrimidin-2-yl-3,9,13-triazadispiro[4.0.56.35]tetradecane-9-carboxamide
CID 134073383
N-(3,4-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108866262
N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111612
N-(3-chlorophenyl)-4-(3,5-dichloro-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 118068173

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 646916) is N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is KTXQQGVQNJZXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c16-12-3-1-4-13(11-12)19-15(22)21-9-7-20(8-10-21)14-17-5-2-6-18-14/h1-6,11H,7-10H2,(H,19,22).
What are the key properties of N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 646916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).