(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

C17H18ClN3O2 — CID 9372250

IUPAC(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cccnc3Cl)CC2)c1
InChIInChI=1S/C17H18ClN3O2/c1-23-14-5-2-4-13(12-14)20-8-10-21(11-9-20)17(22)15-6-3-7-19-16(15)18/h2-7,12H,8-11H2,1H3
InChIKeyOSMHKNQCUPTZGI-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.71
Rot. Bonds3

About (2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 9372250) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID9372250
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cccnc3Cl)CC2)c1
InChIInChI=1S/C17H18ClN3O2/c1-23-14-5-2-4-13(12-14)20-8-10-21(11-9-20)17(22)15-6-3-7-19-16(15)18/h2-7,12H,8-11H2,1H3
InChIKeyOSMHKNQCUPTZGI-UHFFFAOYSA-N
XLogP2.71
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-3-pyridinyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159021
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
[2-(2,4-dimethylphenyl)sulfanyl-3-pyridinyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38602740
(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 112789681
[4-(3-methoxyphenyl)piperazin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 38602896
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-3-pyridinyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38603197
(5-chloro-2-nitrophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9089060
[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 50764359
(5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 120639741
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 2091587
(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38600840
4-chloro-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 39556509

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 9372250) is (2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3cccnc3Cl)CC2)c1.
What is the InChIKey of (2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is OSMHKNQCUPTZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-23-14-5-2-4-13(12-14)20-8-10-21(11-9-20)17(22)15-6-3-7-19-16(15)18/h2-7,12H,8-11H2,1H3.
What are the key properties of (2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 331.80 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 9372250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).