[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone

C17H22Cl2N2O2 — CID 93490177

IUPAC[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)N1CCOCC1
InChIInChI=1S/C17H22Cl2N2O2/c18-15-4-1-5-16(19)14(15)12-20-6-2-3-13(11-20)17(22)21-7-9-23-10-8-21/h1,4-5,13H,2-3,6-12H2/t13-/m1/s1
InChIKeyOFTWEEHNKFELBR-CYBMUJFWSA-N
MW357.28 g/mol
LogP3.06
Rot. Bonds3

About [(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone

[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 93490177) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is [(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID93490177
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC Name[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C([C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)N1CCOCC1
InChIInChI=1S/C17H22Cl2N2O2/c18-15-4-1-5-16(19)14(15)12-20-6-2-3-13(11-20)17(22)21-7-9-23-10-8-21/h1,4-5,13H,2-3,6-12H2/t13-/m1/s1
InChIKeyOFTWEEHNKFELBR-CYBMUJFWSA-N
XLogP3.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93491661
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918722
ethyl 4-[1-[(2,6-dichlorophenyl)methyl]piperidine-3-carbonyl]piperazine-1-carboxylate
CID 43920595
1-[(2,6-dichlorophenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917458
4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]benzonitrile
CID 51323129
1-[(2,6-dichlorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918333
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxamide
CID 43923255
[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165432911
[1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 70779312
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 93490177) is [(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone is O=C([C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)N1CCOCC1.
What is the InChIKey of [(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is OFTWEEHNKFELBR-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c18-15-4-1-5-16(19)14(15)12-20-6-2-3-13(11-20)17(22)21-7-9-23-10-8-21/h1,4-5,13H,2-3,6-12H2/t13-/m1/s1.
What are the key properties of [(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 357.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 93490177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).