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

C20H26Br2N2O2 — CID 30478701

IUPAC[2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Br)c(C(=O)N3CCC(C)CC3)cc2Br)CC1
InChIInChI=1S/C20H26Br2N2O2/c1-13-3-7-23(8-4-13)19(25)15-11-18(22)16(12-17(15)21)20(26)24-9-5-14(2)6-10-24/h11-14H,3-10H2,1-2H3
InChIKeyMSDVKWHRJISTKU-UHFFFAOYSA-N
MW486.25 g/mol
LogP4.96
Rot. Bonds2

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

[2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 30478701) has the molecular formula C20H26Br2N2O2 and a molecular weight of 486.25 g/mol. Its IUPAC name is [2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID30478701
Molecular FormulaC20H26Br2N2O2
Molecular Weight486.25 g/mol
Exact Mass484.04
IUPAC Name[2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc(Br)c(C(=O)N3CCC(C)CC3)cc2Br)CC1
InChIInChI=1S/C20H26Br2N2O2/c1-13-3-7-23(8-4-13)19(25)15-11-18(22)16(12-17(15)21)20(26)24-9-5-14(2)6-10-24/h11-14H,3-10H2,1-2H3
InChIKeyMSDVKWHRJISTKU-UHFFFAOYSA-N
XLogP4.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.25
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-chlorophenyl)-(4-methylazepan-1-yl)methanone
CID 107988267
(2-amino-4-bromo-5-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 114278145
(2-bromo-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 81005616
(2-amino-5-hydroxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 107073666
[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
CID 30482005
2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 63929752
(3-bromo-2-methoxy-5-propan-2-ylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 50883206
(4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 110691230
(4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 593464
(2-amino-5-chlorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 16772124
4-bromo-3-(3-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 62732706
(3-bromo-2-chlorophenyl)-(4-methylazepan-1-yl)methanone
CID 103989224

Frequently Asked Questions

What is the IUPAC name of [2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone (CID 30478701) is [2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc(Br)c(C(=O)N3CCC(C)CC3)cc2Br)CC1.
What is the InChIKey of [2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is MSDVKWHRJISTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Br2N2O2/c1-13-3-7-23(8-4-13)19(25)15-11-18(22)16(12-17(15)21)20(26)24-9-5-14(2)6-10-24/h11-14H,3-10H2,1-2H3.
What are the key properties of [2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone?
[2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 486.25 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 30478701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).