(2-chloro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone

C12H15ClN2O — CID 901013

IUPAC(2-chloro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C12H15ClN2O/c1-9-4-7-15(8-5-9)12(16)10-3-2-6-14-11(10)13/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyKOHQTMKPQJEEMF-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.61
Rot. Bonds1

About (2-chloro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone

(2-chloro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 901013) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
PubChem CID901013
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name(2-chloro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C12H15ClN2O/c1-9-4-7-15(8-5-9)12(16)10-3-2-6-14-11(10)13/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyKOHQTMKPQJEEMF-UHFFFAOYSA-N
XLogP2.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone (CID 901013) is (2-chloro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cccnc2Cl)CC1.
What is the InChIKey of (2-chloro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is KOHQTMKPQJEEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-9-4-7-15(8-5-9)12(16)10-3-2-6-14-11(10)13/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of (2-chloro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone?
(2-chloro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 238.72 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 901013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).