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

C16H21Cl2N3O2 — CID 86846041

IUPAC(2,6-dichloro-4-pyridinyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
SMILESCC1CN(C2CCN(C(=O)c3cc(Cl)nc(Cl)c3)CC2)CCO1
InChIInChI=1S/C16H21Cl2N3O2/c1-11-10-21(6-7-23-11)13-2-4-20(5-3-13)16(22)12-8-14(17)19-15(18)9-12/h8-9,11,13H,2-7,10H2,1H3
InChIKeyRWCONWZKHWSSMX-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.71
Rot. Bonds2

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

(2,6-dichloro-4-pyridinyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone (PubChem CID 86846041) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is (2,6-dichloro-4-pyridinyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dichloro-4-pyridinyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
PubChem CID86846041
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name(2,6-dichloro-4-pyridinyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
SMILESCC1CN(C2CCN(C(=O)c3cc(Cl)nc(Cl)c3)CC2)CCO1
InChIInChI=1S/C16H21Cl2N3O2/c1-11-10-21(6-7-23-11)13-2-4-20(5-3-13)16(22)12-8-14(17)19-15(18)9-12/h8-9,11,13H,2-7,10H2,1H3
InChIKeyRWCONWZKHWSSMX-UHFFFAOYSA-N
XLogP2.71
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,6-dichloro-4-pyridinyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-butoxy-3-chloro-5-ethoxyphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 60558490
2,3-dihydro-1-benzofuran-5-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 86824775
(2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone
CID 172648268
(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348347
1-benzofuran-2-yl-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 56818170
[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 56818176
(5-amino-2-methylphenyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone
CID 120645207
(5-methyl-1H-indol-2-yl)-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]methanone
CID 95584856
3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
CID 3874973
(2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968195
(3-tert-butylpyrrolidin-1-yl)-(2,6-dichloro-4-pyridinyl)methanone
CID 113415062
(2,6-dichloro-4-pyridinyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 78902470

Frequently Asked Questions

What is the IUPAC name of (2,6-dichloro-4-pyridinyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,6-dichloro-4-pyridinyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone (CID 86846041) is (2,6-dichloro-4-pyridinyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dichloro-4-pyridinyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dichloro-4-pyridinyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone is CC1CN(C2CCN(C(=O)c3cc(Cl)nc(Cl)c3)CC2)CCO1.
What is the InChIKey of (2,6-dichloro-4-pyridinyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone?
The InChIKey is RWCONWZKHWSSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O2/c1-11-10-21(6-7-23-11)13-2-4-20(5-3-13)16(22)12-8-14(17)19-15(18)9-12/h8-9,11,13H,2-7,10H2,1H3.
What are the key properties of (2,6-dichloro-4-pyridinyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone?
(2,6-dichloro-4-pyridinyl)-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone has a molecular weight of 358.27 g/mol, XLogP of 2.71, 2 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-(2-methylmorpholin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 86846041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).