[3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone

C20H26Cl2N2O2 — CID 94071084

IUPAC[3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1C(=O)c1cc(Cl)c(C(=O)N2CCCC[C@H]2C)c(Cl)c1
InChIInChI=1S/C20H26Cl2N2O2/c1-13-7-3-5-9-23(13)19(25)15-11-16(21)18(17(22)12-15)20(26)24-10-6-4-8-14(24)2/h11-14H,3-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyVXTBPTQHXVUVHQ-ZIAGYGMSSA-N
MW397.35 g/mol
LogP5.02
Rot. Bonds2

About [3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone

[3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 94071084) has the molecular formula C20H26Cl2N2O2 and a molecular weight of 397.35 g/mol. Its IUPAC name is [3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID94071084
Molecular FormulaC20H26Cl2N2O2
Molecular Weight397.35 g/mol
Exact Mass396.14
IUPAC Name[3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1C(=O)c1cc(Cl)c(C(=O)N2CCCC[C@H]2C)c(Cl)c1
InChIInChI=1S/C20H26Cl2N2O2/c1-13-7-3-5-9-23(13)19(25)15-11-16(21)18(17(22)12-15)20(26)24-10-6-4-8-14(24)2/h11-14H,3-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyVXTBPTQHXVUVHQ-ZIAGYGMSSA-N
XLogP5.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.35
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

[(2S)-2-methylpiperidin-1-yl]-(3,4,5-trichlorophenyl)methanone
CID 94861975
2,6-dichloro-4-[(2S)-2-methylpiperidine-1-carbonyl]benzonitrile
CID 94861983
(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103734678
[2,6-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl] thiocyanate
CID 94861980
(3-bromo-4-chlorophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103841523
(3-bromo-5-chlorophenyl)-(2-methylazepan-1-yl)methanone
CID 114019994
3-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65369073
[3-chloro-4-(methylamino)-5-nitrophenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170769
[3-(2-methylpiperidine-1-carbonyl)-5-nitrophenyl]-(2-methylpiperidin-1-yl)methanone
CID 5008991
(3-bromophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40543984
(4-tert-butyl-3-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 142238320
2-chloro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 60637659

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone (CID 94071084) is [3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone is C[C@@H]1CCCCN1C(=O)c1cc(Cl)c(C(=O)N2CCCC[C@H]2C)c(Cl)c1.
What is the InChIKey of [3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is VXTBPTQHXVUVHQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C20H26Cl2N2O2/c1-13-7-3-5-9-23(13)19(25)15-11-16(21)18(17(22)12-15)20(26)24-10-6-4-8-14(24)2/h11-14H,3-10H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of [3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone?
[3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 397.35 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 94071084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).