(6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

C16H22ClN3O — CID 62234566

IUPAC(6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)n1)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H22ClN3O/c17-15-5-3-4-14(18-15)16(21)20-10-6-13(7-11-20)12-19-8-1-2-9-19/h3-5,13H,1-2,6-12H2
InChIKeyVFCCYDSHQJMPDL-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.68
Rot. Bonds3

About (6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

(6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 62234566) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is (6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID62234566
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name(6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(Cl)n1)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C16H22ClN3O/c17-15-5-3-4-14(18-15)16(21)20-10-6-13(7-11-20)12-19-8-1-2-9-19/h3-5,13H,1-2,6-12H2
InChIKeyVFCCYDSHQJMPDL-UHFFFAOYSA-N
XLogP2.68
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (CID 62234566) is (6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1cccc(Cl)n1)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of (6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is VFCCYDSHQJMPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c17-15-5-3-4-14(18-15)16(21)20-10-6-13(7-11-20)12-19-8-1-2-9-19/h3-5,13H,1-2,6-12H2.
What are the key properties of (6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
(6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 307.82 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62234566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).