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

C17H19ClN4O2 — CID 18663039

IUPAC4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide
SMILESCOc1ncccc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H19ClN4O2/c1-24-16-15(6-3-7-19-16)20-17(23)22-10-8-21(9-11-22)14-5-2-4-13(18)12-14/h2-7,12H,8-11H2,1H3,(H,20,23)
InChIKeyLCSCSVZKKJTDPY-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.10
Rot. Bonds3

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

4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 18663039) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide
PubChem CID18663039
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide
SMILESCOc1ncccc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H19ClN4O2/c1-24-16-15(6-3-7-19-16)20-17(23)22-10-8-21(9-11-22)14-5-2-4-13(18)12-14/h2-7,12H,8-11H2,1H3,(H,20,23)
InChIKeyLCSCSVZKKJTDPY-UHFFFAOYSA-N
XLogP3.10
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenyl)-N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)piperazine-1-carboxamide
CID 18663154
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
4-(3-chlorophenyl)-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 86987085
4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585
4-(3-chlorophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 6467004
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
4-(3-chlorophenyl)-N-(3-methoxy-1-methylpyrazol-5-yl)piperazine-1-carboxamide
CID 136559298
4-(3-chlorophenyl)-N-(3-methoxy-7-methylquinoxalin-2-yl)piperazine-1-carboxamide
CID 66918074
1-N-(2-methoxy-3-pyridinyl)piperidine-1,4-dicarboxamide
CID 47222931
1-N-(3-chlorophenyl)-4-N-(2-methyl-3-pyridinyl)piperazine-1,4-dicarboxamide
CID 167975602
4-(3-chloro-2-pyridinyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 47075750
4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3686318

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide (CID 18663039) is 4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide is COc1ncccc1NC(=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is LCSCSVZKKJTDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-24-16-15(6-3-7-19-16)20-17(23)22-10-8-21(9-11-22)14-5-2-4-13(18)12-14/h2-7,12H,8-11H2,1H3,(H,20,23).
What are the key properties of 4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(2-methoxy-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 18663039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).