4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)piperazine-1-carboxamide

C18H21ClN4O — CID 21037634

IUPAC4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1
InChIInChI=1S/C18H21ClN4O/c1-2-14-5-7-15(8-6-14)21-18(24)23-12-10-22(11-13-23)17-16(19)4-3-9-20-17/h3-9H,2,10-13H2,1H3,(H,21,24)
InChIKeyKWEIKCRLKBUIRZ-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.65
Rot. Bonds3

About 4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)piperazine-1-carboxamide

4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)piperazine-1-carboxamide (PubChem CID 21037634) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
PubChem CID21037634
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)piperazine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1
InChIInChI=1S/C18H21ClN4O/c1-2-14-5-7-15(8-6-14)21-18(24)23-12-10-22(11-13-23)17-16(19)4-3-9-20-17/h3-9H,2,10-13H2,1H3,(H,21,24)
InChIKeyKWEIKCRLKBUIRZ-UHFFFAOYSA-N
XLogP3.65
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)piperazine-1-carboxamide (CID 21037634) is 4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)piperazine-1-carboxamide is CCc1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
The InChIKey is KWEIKCRLKBUIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-2-14-5-7-15(8-6-14)21-18(24)23-12-10-22(11-13-23)17-16(19)4-3-9-20-17/h3-9H,2,10-13H2,1H3,(H,21,24).
What are the key properties of 4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)piperazine-1-carboxamide?
4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)piperazine-1-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-N-(4-ethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 21037634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).