[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C17H21BrN2O2 — CID 36802255

IUPAC[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccccc1Br)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C17H21BrN2O2/c18-15-6-2-1-5-14(15)17(22)20-11-7-13(8-12-20)16(21)19-9-3-4-10-19/h1-2,5-6,13H,3-4,7-12H2
InChIKeyWBJHXXFENKLDGJ-UHFFFAOYSA-N
MW365.27 g/mol
LogP2.92
Rot. Bonds2

About [1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 36802255) has the molecular formula C17H21BrN2O2 and a molecular weight of 365.27 g/mol. Its IUPAC name is [1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID36802255
Molecular FormulaC17H21BrN2O2
Molecular Weight365.27 g/mol
Exact Mass364.08
IUPAC Name[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccccc1Br)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C17H21BrN2O2/c18-15-6-2-1-5-14(15)17(22)20-11-7-13(8-12-20)16(21)19-9-3-4-10-19/h1-2,5-6,13H,3-4,7-12H2
InChIKeyWBJHXXFENKLDGJ-UHFFFAOYSA-N
XLogP2.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60954591
(2-bromophenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152970
(2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776073
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
2-(2-bromophenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002935
1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide
CID 39594396
(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
CID 2842644
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopentylmethanone
CID 110797839
1-(2-bromobenzoyl)piperidine-3-carboxamide
CID 24692766
azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
CID 134029841
[1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 119944801

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 36802255) is [1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccccc1Br)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of [1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WBJHXXFENKLDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O2/c18-15-6-2-1-5-14(15)17(22)20-11-7-13(8-12-20)16(21)19-9-3-4-10-19/h1-2,5-6,13H,3-4,7-12H2.
What are the key properties of [1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 365.27 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 36802255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).