(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone

C11H14ClN3O — CID 71639387

IUPAC(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccnc2Cl)CCN1
InChIInChI=1S/C11H14ClN3O/c1-8-7-15(6-5-13-8)11(16)9-3-2-4-14-10(9)12/h2-4,8,13H,5-7H2,1H3
InChIKeyIRFUHSYPOADRPQ-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.17
Rot. Bonds1

About (2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone

(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone (PubChem CID 71639387) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
PubChem CID71639387
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccnc2Cl)CCN1
InChIInChI=1S/C11H14ClN3O/c1-8-7-15(6-5-13-8)11(16)9-3-2-4-14-10(9)12/h2-4,8,13H,5-7H2,1H3
InChIKeyIRFUHSYPOADRPQ-UHFFFAOYSA-N
XLogP1.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-methylpiperazin-1-yl)-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119578639
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119578686
(2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226414
(2,3-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65449557
(2-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611734
(2-chlorophenyl)-(3-methyl-1,4-diazepan-1-yl)methanone
CID 82245120
(3-hydroxy-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82829933
(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 106683662
(2-chloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668646
(2,5-dichlorophenyl)-(3-methylpiperazin-1-yl)methanone
CID 65419188
(2-iodophenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81426406

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone (CID 71639387) is (2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cccnc2Cl)CCN1.
What is the InChIKey of (2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone?
The InChIKey is IRFUHSYPOADRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-8-7-15(6-5-13-8)11(16)9-3-2-4-14-10(9)12/h2-4,8,13H,5-7H2,1H3.
What are the key properties of (2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone?
(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone has a molecular weight of 239.71 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 71639387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).