[5-chloro-6-[2-(2-methylphenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone

C22H26ClN3O2 — CID 133354115

IUPAC[5-chloro-6-[2-(2-methylphenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1ccccc1C1CN(c2ncc(C(=O)N3CCCCC3)cc2Cl)CCO1
InChIInChI=1S/C22H26ClN3O2/c1-16-7-3-4-8-18(16)20-15-26(11-12-28-20)21-19(23)13-17(14-24-21)22(27)25-9-5-2-6-10-25/h3-4,7-8,13-14,20H,2,5-6,9-12,15H2,1H3
InChIKeyVJKHMMSSXBMLIB-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.25
Rot. Bonds3

About [5-chloro-6-[2-(2-methylphenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-[2-(2-methylphenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133354115) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is [5-chloro-6-[2-(2-methylphenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[2-(2-methylphenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133354115
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name[5-chloro-6-[2-(2-methylphenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1ccccc1C1CN(c2ncc(C(=O)N3CCCCC3)cc2Cl)CCO1
InChIInChI=1S/C22H26ClN3O2/c1-16-7-3-4-8-18(16)20-15-26(11-12-28-20)21-19(23)13-17(14-24-21)22(27)25-9-5-2-6-10-25/h3-4,7-8,13-14,20H,2,5-6,9-12,15H2,1H3
InChIKeyVJKHMMSSXBMLIB-UHFFFAOYSA-N
XLogP4.25
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-chloro-6-[2-(2-methylphenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 133270887
[5-chloro-6-[4-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 167831126
[6-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone
CID 133322869
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 56584912
[6-[2-(4-chlorophenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56868455
[5-chloro-6-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133327550
tert-butyl N-[1-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 133293163
[2-(2-methylphenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 110364459
[5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270898
[5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271248
[5-chloro-6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133314369
4-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)morpholine
CID 133354201

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[2-(2-methylphenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[2-(2-methylphenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133354115) is [5-chloro-6-[2-(2-methylphenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[2-(2-methylphenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[2-(2-methylphenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone is Cc1ccccc1C1CN(c2ncc(C(=O)N3CCCCC3)cc2Cl)CCO1.
What is the InChIKey of [5-chloro-6-[2-(2-methylphenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is VJKHMMSSXBMLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-16-7-3-4-8-18(16)20-15-26(11-12-28-20)21-19(23)13-17(14-24-21)22(27)25-9-5-2-6-10-25/h3-4,7-8,13-14,20H,2,5-6,9-12,15H2,1H3.
What are the key properties of [5-chloro-6-[2-(2-methylphenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[2-(2-methylphenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 399.92 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[2-(2-methylphenyl)morpholin-4-yl]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133354115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).