(4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone

C17H19BrN2O3 — CID 119375154

IUPAC(4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
SMILESNC1CCN(C(=O)c2ccc(COc3ccc(Br)cc3)o2)CC1
InChIInChI=1S/C17H19BrN2O3/c18-12-1-3-14(4-2-12)22-11-15-5-6-16(23-15)17(21)20-9-7-13(19)8-10-20/h1-6,13H,7-11,19H2
InChIKeyOSSXKCJFTHQPJI-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.18
Rot. Bonds4

About (4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone

(4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone (PubChem CID 119375154) has the molecular formula C17H19BrN2O3 and a molecular weight of 379.25 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
PubChem CID119375154
Molecular FormulaC17H19BrN2O3
Molecular Weight379.25 g/mol
Exact Mass378.06
IUPAC Name(4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
SMILESNC1CCN(C(=O)c2ccc(COc3ccc(Br)cc3)o2)CC1
InChIInChI=1S/C17H19BrN2O3/c18-12-1-3-14(4-2-12)22-11-15-5-6-16(23-15)17(21)20-9-7-13(19)8-10-20/h1-6,13H,7-11,19H2
InChIKeyOSSXKCJFTHQPJI-UHFFFAOYSA-N
XLogP3.18
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone;hydrochloride
CID 119411658
(3-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
CID 119379806
[5-[(4-bromophenoxy)methyl]furan-2-yl]-(1,4-diazepan-1-yl)methanone
CID 119416732
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325456
1-[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55957222
1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 51159283
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
CID 120805733
1-[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356795
[(3S)-3-aminopiperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 124628175
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294871
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325645
[5-[(3-bromophenoxy)methyl]furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119563369

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone (CID 119375154) is (4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone is NC1CCN(C(=O)c2ccc(COc3ccc(Br)cc3)o2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone?
The InChIKey is OSSXKCJFTHQPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3/c18-12-1-3-14(4-2-12)22-11-15-5-6-16(23-15)17(21)20-9-7-13(19)8-10-20/h1-6,13H,7-11,19H2.
What are the key properties of (4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone?
(4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone has a molecular weight of 379.25 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone is sourced from PubChem (CID 119375154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).