(2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C16H21Cl2N3O2 — CID 78902470

IUPAC(2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)nc(Cl)c1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C16H21Cl2N3O2/c17-14-9-13(10-15(18)19-14)16(22)21-3-1-12(2-4-21)11-20-5-7-23-8-6-20/h9-10,12H,1-8,11H2
InChIKeyBJXOHUZTBXPHIN-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.57
Rot. Bonds3

About (2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

(2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 78902470) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is (2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID78902470
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name(2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)nc(Cl)c1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C16H21Cl2N3O2/c17-14-9-13(10-15(18)19-14)16(22)21-3-1-12(2-4-21)11-20-5-7-23-8-6-20/h9-10,12H,1-8,11H2
InChIKeyBJXOHUZTBXPHIN-UHFFFAOYSA-N
XLogP2.57
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.57
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

(2,3-dimethylquinoxalin-6-yl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 110304852
(3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124592867
2-[1-(2,6-dichloropyridine-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 78887514
1-methyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyridin-2-one
CID 75461257
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 55845372
(4-amino-5-chloro-2-methoxyphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 119851808
cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958
1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]phenyl]piperidin-2-one
CID 55748028
[2-chloro-6-(methylamino)-4-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186716
(5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120642716
3-chloro-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 54876000
(2,6-dichloro-4-pyridinyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 86846041

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 78902470) is (2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is O=C(c1cc(Cl)nc(Cl)c1)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of (2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is BJXOHUZTBXPHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O2/c17-14-9-13(10-15(18)19-14)16(22)21-3-1-12(2-4-21)11-20-5-7-23-8-6-20/h9-10,12H,1-8,11H2.
What are the key properties of (2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 358.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 78902470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).