2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride

C18H29ClN4O3 — CID 120776413

IUPAC2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCC1(C)CN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CCC1N.Cl
InChIInChI=1S/C18H28N4O3.ClH/c1-18(2)13-20(6-5-15(18)19)12-16(23)21-7-9-22(10-8-21)17(24)14-4-3-11-25-14;/h3-4,11,15H,5-10,12-13,19H2,1-2H3;1H
InChIKeyRDVCFWDTECJDAW-UHFFFAOYSA-N
MW384.91 g/mol
LogP1.04
Rot. Bonds3

About 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride

2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 120776413) has the molecular formula C18H29ClN4O3 and a molecular weight of 384.91 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID120776413
Molecular FormulaC18H29ClN4O3
Molecular Weight384.91 g/mol
Exact Mass384.19
IUPAC Name2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCC1(C)CN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CCC1N.Cl
InChIInChI=1S/C18H28N4O3.ClH/c1-18(2)13-20(6-5-15(18)19)12-16(23)21-7-9-22(10-8-21)17(24)14-4-3-11-25-14;/h3-4,11,15H,5-10,12-13,19H2,1-2H3;1H
InChIKeyRDVCFWDTECJDAW-UHFFFAOYSA-N
XLogP1.04
TPSA83.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride with MolForge

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Related Compounds

2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440443
2-(2-ethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004627
N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113158366
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8544458
N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 113147911
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 78789973
3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 17476381
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride (CID 120776413) is 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride is CC1(C)CN(CC(=O)N2CCN(C(=O)c3ccco3)CC2)CCC1N.Cl.
What is the InChIKey of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is RDVCFWDTECJDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3.ClH/c1-18(2)13-20(6-5-15(18)19)12-16(23)21-7-9-22(10-8-21)17(24)14-4-3-11-25-14;/h3-4,11,15H,5-10,12-13,19H2,1-2H3;1H.
What are the key properties of 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride?
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 384.91 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120776413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).