[4-(6-bromo-2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone

C18H19BrN2O3 — CID 32890239

IUPAC[4-(6-bromo-2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1=Cc2cc(Br)ccc2OC1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H19BrN2O3/c19-15-3-4-16-13(10-15)9-14(11-24-16)18(23)21-7-5-20(6-8-21)17(22)12-1-2-12/h3-4,9-10,12H,1-2,5-8,11H2
InChIKeySEDCSSUULVUCCF-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.31
Rot. Bonds2

About [4-(6-bromo-2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone

[4-(6-bromo-2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone (PubChem CID 32890239) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is [4-(6-bromo-2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(6-bromo-2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
PubChem CID32890239
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name[4-(6-bromo-2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1=Cc2cc(Br)ccc2OC1)N1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C18H19BrN2O3/c19-15-3-4-16-13(10-15)9-14(11-24-16)18(23)21-7-5-20(6-8-21)17(22)12-1-2-12/h3-4,9-10,12H,1-2,5-8,11H2
InChIKeySEDCSSUULVUCCF-UHFFFAOYSA-N
XLogP2.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-bromo-2H-chromen-3-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029938
(6-bromo-2H-chromen-3-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 36713025
[1-(6-chloro-2H-chromene-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51257683
[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopentylmethanone
CID 36513567
azepan-1-yl-[1-(2H-chromene-3-carbonyl)piperidin-4-yl]methanone
CID 17475798
(6-bromo-2H-chromen-3-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030457
(4-aminopiperidin-1-yl)-(2H-chromen-3-yl)methanone;hydrochloride
CID 119373372
(6-chloro-2H-chromen-3-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119625169
1-(6-chloro-2H-chromene-3-carbonyl)-1,4-diazepan-5-one
CID 62046256
6-bromo-N-[(3-hydroxycyclopentyl)methyl]-2H-chromene-3-carboxamide
CID 103280040
tert-butyl 4-(6-bromo-2H-chromen-3-yl)piperidine-1-carboxylate
CID 118863986
6-bromo-3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1H-quinolin-4-one
CID 86789113

Frequently Asked Questions

What is the IUPAC name of [4-(6-bromo-2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(6-bromo-2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone (CID 32890239) is [4-(6-bromo-2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(6-bromo-2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(6-bromo-2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone is O=C(C1=Cc2cc(Br)ccc2OC1)N1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of [4-(6-bromo-2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is SEDCSSUULVUCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c19-15-3-4-16-13(10-15)9-14(11-24-16)18(23)21-7-5-20(6-8-21)17(22)12-1-2-12/h3-4,9-10,12H,1-2,5-8,11H2.
What are the key properties of [4-(6-bromo-2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone?
[4-(6-bromo-2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 391.27 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-bromo-2H-chromene-3-carbonyl)piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 32890239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).