2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride

C19H34Cl2N4O2 — CID 119837255

IUPAC2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride
SMILESCl.Cl.NC1C2CCC(C2)C1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H32N4O2.2ClH/c20-18-15-5-4-14(12-15)17(18)19(25)23-10-8-21(9-11-23)13-16(24)22-6-2-1-3-7-22;;/h14-15,17-18H,1-13,20H2;2*1H
InChIKeyLUTDEYJBVBXVAP-UHFFFAOYSA-N
MW421.41 g/mol
LogP1.36
Rot. Bonds3

About 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride

2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride (PubChem CID 119837255) has the molecular formula C19H34Cl2N4O2 and a molecular weight of 421.41 g/mol. Its IUPAC name is 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride.

Molecular Properties

Compound Name2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride
PubChem CID119837255
Molecular FormulaC19H34Cl2N4O2
Molecular Weight421.41 g/mol
Exact Mass420.21
IUPAC Name2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride
SMILESCl.Cl.NC1C2CCC(C2)C1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H32N4O2.2ClH/c20-18-15-5-4-14(12-15)17(18)19(25)23-10-8-21(9-11-23)13-16(24)22-6-2-1-3-7-22;;/h14-15,17-18H,1-13,20H2;2*1H
InChIKeyLUTDEYJBVBXVAP-UHFFFAOYSA-N
XLogP1.36
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-(azepan-1-yl)ethanone
CID 119836889
1-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876003
1-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119399343
2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843973
2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879438
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119894699
2-[4-(3-aminocyclohexanecarbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride
CID 119844122
2-[4-(3-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 119844119
(3-amino-2-bicyclo[2.2.1]heptanyl)-thiomorpholin-4-ylmethanone;hydrochloride
CID 119705162
1-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 119754744
1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(azocan-1-yl)ethanone
CID 122557295
[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 119738138

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride?
The IUPAC name of 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride (CID 119837255) is 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride.
What is the SMILES notation for 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride?
The canonical SMILES for 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride is Cl.Cl.NC1C2CCC(C2)C1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride?
The InChIKey is LUTDEYJBVBXVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2.2ClH/c20-18-15-5-4-14(12-15)17(18)19(25)23-10-8-21(9-11-23)13-16(24)22-6-2-1-3-7-22;;/h14-15,17-18H,1-13,20H2;2*1H.
What are the key properties of 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride?
2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride has a molecular weight of 421.41 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride is sourced from PubChem (CID 119837255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).