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

C15H16ClN5O — CID 974365

IUPACN-(2-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H16ClN5O/c16-12-4-1-2-5-13(12)19-15(22)21-10-8-20(9-11-21)14-17-6-3-7-18-14/h1-7H,8-11H2,(H,19,22)
InChIKeyWLPARELNAJKBCM-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.48
Rot. Bonds2

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

N-(2-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 974365) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID974365
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC NameN-(2-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H16ClN5O/c16-12-4-1-2-5-13(12)19-15(22)21-10-8-20(9-11-21)14-17-6-3-7-18-14/h1-7H,8-11H2,(H,19,22)
InChIKeyWLPARELNAJKBCM-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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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 974365) is N-(2-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is WLPARELNAJKBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c16-12-4-1-2-5-13(12)19-15(22)21-10-8-20(9-11-21)14-17-6-3-7-18-14/h1-7H,8-11H2,(H,19,22).
What are the key properties of N-(2-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-(2-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-(2-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 974365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).