4-(5-bromofuran-2-carbonyl)-N-tert-butylpiperazine-1-carboxamide

C14H20BrN3O3 — CID 110812215

IUPAC4-(5-bromofuran-2-carbonyl)-N-tert-butylpiperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C14H20BrN3O3/c1-14(2,3)16-13(20)18-8-6-17(7-9-18)12(19)10-4-5-11(15)21-10/h4-5H,6-9H2,1-3H3,(H,16,20)
InChIKeySMYYTCFUVPBHLV-UHFFFAOYSA-N
MW358.24 g/mol
LogP2.31
Rot. Bonds1

About 4-(5-bromofuran-2-carbonyl)-N-tert-butylpiperazine-1-carboxamide

4-(5-bromofuran-2-carbonyl)-N-tert-butylpiperazine-1-carboxamide (PubChem CID 110812215) has the molecular formula C14H20BrN3O3 and a molecular weight of 358.24 g/mol. Its IUPAC name is 4-(5-bromofuran-2-carbonyl)-N-tert-butylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-bromofuran-2-carbonyl)-N-tert-butylpiperazine-1-carboxamide
PubChem CID110812215
Molecular FormulaC14H20BrN3O3
Molecular Weight358.24 g/mol
Exact Mass357.07
IUPAC Name4-(5-bromofuran-2-carbonyl)-N-tert-butylpiperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C14H20BrN3O3/c1-14(2,3)16-13(20)18-8-6-17(7-9-18)12(19)10-4-5-11(15)21-10/h4-5H,6-9H2,1-3H3,(H,16,20)
InChIKeySMYYTCFUVPBHLV-UHFFFAOYSA-N
XLogP2.31
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 39492865
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]-(4-tert-butylphenyl)methanone
CID 108545866
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560231
[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110814815
(5-bromofuran-2-yl)-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26750377
[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 39493722
1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone
CID 84581067
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-3-chloropropan-1-one
CID 108568304
(5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 32823800

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromofuran-2-carbonyl)-N-tert-butylpiperazine-1-carboxamide?
The IUPAC name of 4-(5-bromofuran-2-carbonyl)-N-tert-butylpiperazine-1-carboxamide (CID 110812215) is 4-(5-bromofuran-2-carbonyl)-N-tert-butylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-bromofuran-2-carbonyl)-N-tert-butylpiperazine-1-carboxamide?
The canonical SMILES for 4-(5-bromofuran-2-carbonyl)-N-tert-butylpiperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(C(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of 4-(5-bromofuran-2-carbonyl)-N-tert-butylpiperazine-1-carboxamide?
The InChIKey is SMYYTCFUVPBHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O3/c1-14(2,3)16-13(20)18-8-6-17(7-9-18)12(19)10-4-5-11(15)21-10/h4-5H,6-9H2,1-3H3,(H,16,20).
What are the key properties of 4-(5-bromofuran-2-carbonyl)-N-tert-butylpiperazine-1-carboxamide?
4-(5-bromofuran-2-carbonyl)-N-tert-butylpiperazine-1-carboxamide has a molecular weight of 358.24 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromofuran-2-carbonyl)-N-tert-butylpiperazine-1-carboxamide is sourced from PubChem (CID 110812215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).