[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone

C16H23ClN4O — CID 95622258

IUPAC[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
SMILESCN1CCCC[C@H]1C(=O)N1CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C16H23ClN4O/c1-19-8-3-2-5-13(19)16(22)21-11-9-20(10-12-21)15-7-4-6-14(17)18-15/h4,6-7,13H,2-3,5,8-12H2,1H3/t13-/m0/s1
InChIKeyFEEQVVPIBOFYIU-ZDUSSCGKSA-N
MW322.84 g/mol
LogP1.87
Rot. Bonds2

About [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone

[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone (PubChem CID 95622258) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone.

Molecular Properties

Compound Name[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
PubChem CID95622258
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC Name[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
SMILESCN1CCCC[C@H]1C(=O)N1CCN(c2cccc(Cl)n2)CC1
InChIInChI=1S/C16H23ClN4O/c1-19-8-3-2-5-13(19)16(22)21-11-9-20(10-12-21)15-7-4-6-14(17)18-15/h4,6-7,13H,2-3,5,8-12H2,1H3/t13-/m0/s1
InChIKeyFEEQVVPIBOFYIU-ZDUSSCGKSA-N
XLogP1.87
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 51.87
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

(1-methylpiperidin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854882
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
CID 55876732
1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-2-(2,6-dichlorophenyl)ethanone
CID 60526232
[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone
CID 131927700
6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173079104
1-(6-chloro-2-pyridinyl)-N-methylpiperidine-2-carboxamide
CID 63585985
2-[4-[(2S)-1-methylazepane-2-carbonyl]piperazin-1-yl]benzonitrile
CID 97203883
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 55876984
6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133279943
azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
1-(6-chloropyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62241098
[(2R)-1-methylazepan-2-yl]-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 97189052

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone?
The IUPAC name of [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone (CID 95622258) is [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone.
What is the SMILES notation for [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone?
The canonical SMILES for [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone is CN1CCCC[C@H]1C(=O)N1CCN(c2cccc(Cl)n2)CC1.
What is the InChIKey of [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone?
The InChIKey is FEEQVVPIBOFYIU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23ClN4O/c1-19-8-3-2-5-13(19)16(22)21-11-9-20(10-12-21)15-7-4-6-14(17)18-15/h4,6-7,13H,2-3,5,8-12H2,1H3/t13-/m0/s1.
What are the key properties of [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone?
[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone has a molecular weight of 322.84 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-2-pyridinyl)piperazin-1-yl]-[(2S)-1-methylpiperidin-2-yl]methanone is sourced from PubChem (CID 95622258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).