(2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone

C18H25BrN2O2 — CID 90616521

IUPAC(2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCOC1CCN(C2CCN(C(=O)c3ccccc3Br)CC2)CC1
InChIInChI=1S/C18H25BrN2O2/c1-23-15-8-12-20(13-9-15)14-6-10-21(11-7-14)18(22)16-4-2-3-5-17(16)19/h2-5,14-15H,6-13H2,1H3
InChIKeyJCEMQGKLDSCNFU-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.16
Rot. Bonds3

About (2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone

(2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 90616521) has the molecular formula C18H25BrN2O2 and a molecular weight of 381.31 g/mol. Its IUPAC name is (2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID90616521
Molecular FormulaC18H25BrN2O2
Molecular Weight381.31 g/mol
Exact Mass380.11
IUPAC Name(2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCOC1CCN(C2CCN(C(=O)c3ccccc3Br)CC2)CC1
InChIInChI=1S/C18H25BrN2O2/c1-23-15-8-12-20(13-9-15)14-6-10-21(11-7-14)18(22)16-4-2-3-5-17(16)19/h2-5,14-15H,6-13H2,1H3
InChIKeyJCEMQGKLDSCNFU-UHFFFAOYSA-N
XLogP3.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60954591
(5-bromo-2-chlorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616463
(8-bromonaphthalen-1-yl)-(4-methoxypiperidin-1-yl)methanone
CID 171661899
2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
3-(2-bromophenyl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90616380
(2-bromophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396817
2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870210
(2-bromo-5-sulfanylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 107022638
(2-chloro-4-fluorophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616295
1-[1-(2-bromobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
CID 113083056
(3-bromo-2-methylphenyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103533814
[3-(4-methoxypiperidin-1-yl)azetidin-1-yl]-naphthalen-1-ylmethanone
CID 122243216

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone (CID 90616521) is (2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone is COC1CCN(C2CCN(C(=O)c3ccccc3Br)CC2)CC1.
What is the InChIKey of (2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is JCEMQGKLDSCNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O2/c1-23-15-8-12-20(13-9-15)14-6-10-21(11-7-14)18(22)16-4-2-3-5-17(16)19/h2-5,14-15H,6-13H2,1H3.
What are the key properties of (2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone?
(2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 381.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 90616521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).