[1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone

C18H23BrN2O3 — CID 51293210

IUPAC[1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CCO1
InChIInChI=1S/C18H23BrN2O3/c1-13-12-21(10-11-24-13)18(23)15-6-8-20(9-7-15)17(22)14-2-4-16(19)5-3-14/h2-5,13,15H,6-12H2,1H3
InChIKeyRHWKPVUUNVNUGY-UHFFFAOYSA-N
MW395.30 g/mol
LogP2.55
Rot. Bonds2

About [1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone

[1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone (PubChem CID 51293210) has the molecular formula C18H23BrN2O3 and a molecular weight of 395.30 g/mol. Its IUPAC name is [1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
PubChem CID51293210
Molecular FormulaC18H23BrN2O3
Molecular Weight395.30 g/mol
Exact Mass394.09
IUPAC Name[1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CCO1
InChIInChI=1S/C18H23BrN2O3/c1-13-12-21(10-11-24-13)18(23)15-6-8-20(9-7-15)17(22)14-2-4-16(19)5-3-14/h2-5,13,15H,6-12H2,1H3
InChIKeyRHWKPVUUNVNUGY-UHFFFAOYSA-N
XLogP2.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-bromobenzoyl)piperidin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 166234051
(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 115283093
1-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperidin-4-one
CID 127269784
[(2S)-2-methylmorpholin-4-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 42002042
(2-methylmorpholin-4-yl)-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 47016285
[1-(4-bromo-2-methylbenzoyl)piperidin-4-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 55850164
2-[4-[1-(4-bromobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 42123655
[4-(methylamino)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 62173081
(4-bromophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901069
[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 51710382
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
(3-bromo-4-iodophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647300

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of [1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone (CID 51293210) is [1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for [1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)CCO1.
What is the InChIKey of [1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone?
The InChIKey is RHWKPVUUNVNUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O3/c1-13-12-21(10-11-24-13)18(23)15-6-8-20(9-7-15)17(22)14-2-4-16(19)5-3-14/h2-5,13,15H,6-12H2,1H3.
What are the key properties of [1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone?
[1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone has a molecular weight of 395.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromobenzoyl)piperidin-4-yl]-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 51293210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).