N-(4-chlorophenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide

C17H19ClN4O — CID 11267528

IUPACN-(4-chlorophenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCc1cccnc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H19ClN4O/c1-13-3-2-8-19-16(13)21-9-11-22(12-10-21)17(23)20-15-6-4-14(18)5-7-15/h2-8H,9-12H2,1H3,(H,20,23)
InChIKeyIMQPEOBFOGPGNI-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.40
Rot. Bonds2

About N-(4-chlorophenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide

N-(4-chlorophenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 11267528) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
PubChem CID11267528
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC NameN-(4-chlorophenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCc1cccnc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H19ClN4O/c1-13-3-2-8-19-16(13)21-9-11-22(12-10-21)17(23)20-15-6-4-14(18)5-7-15/h2-8H,9-12H2,1H3,(H,20,23)
InChIKeyIMQPEOBFOGPGNI-UHFFFAOYSA-N
XLogP3.40
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide (CID 11267528) is N-(4-chlorophenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide is Cc1cccnc1N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is IMQPEOBFOGPGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-13-3-2-8-19-16(13)21-9-11-22(12-10-21)17(23)20-15-6-4-14(18)5-7-15/h2-8H,9-12H2,1H3,(H,20,23).
What are the key properties of N-(4-chlorophenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 330.82 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 11267528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).