(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

C17H23BrN2O — CID 60954591

IUPAC(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccccc1Br)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H23BrN2O/c18-16-7-3-2-6-15(16)17(21)20-12-8-14(9-13-20)19-10-4-1-5-11-19/h2-3,6-7,14H,1,4-5,8-13H2
InChIKeyIYWVJRPGJXLEND-UHFFFAOYSA-N
MW351.29 g/mol
LogP3.54
Rot. Bonds2

About (2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 60954591) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is (2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID60954591
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccccc1Br)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H23BrN2O/c18-16-7-3-2-6-15(16)17(21)20-12-8-14(9-13-20)19-10-4-1-5-11-19/h2-3,6-7,14H,1,4-5,8-13H2
InChIKeyIYWVJRPGJXLEND-UHFFFAOYSA-N
XLogP3.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616521
[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 36802255
(2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152970
1-[1-(2-bromobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
CID 113083056
(2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776073
(2-bromophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995656
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
(2-ethylsulfonylphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 51124033
N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60758403
1-(2-bromobenzoyl)piperidine-3-carboxamide
CID 24692766
(2-bromo-5-sulfanylphenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 107029385
(4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone
CID 23130829

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 60954591) is (2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is O=C(c1ccccc1Br)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is IYWVJRPGJXLEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c18-16-7-3-2-6-15(16)17(21)20-12-8-14(9-13-20)19-10-4-1-5-11-19/h2-3,6-7,14H,1,4-5,8-13H2.
What are the key properties of (2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 351.29 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 60954591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).