(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone;hydrochloride

C20H33ClN4O — CID 120993203

IUPAC(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1CC1CCN(C(=O)C2CC3CCCC(C2)C3N)CC1
InChIInChI=1S/C20H32N4O.ClH/c1-23-10-7-22-18(23)11-14-5-8-24(9-6-14)20(25)17-12-15-3-2-4-16(13-17)19(15)21;/h7,10,14-17,19H,2-6,8-9,11-13,21H2,1H3;1H
InChIKeyOROWHPPJRVAJRS-UHFFFAOYSA-N
MW380.96 g/mol
LogP2.78
Rot. Bonds3

About (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone;hydrochloride

(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone;hydrochloride (PubChem CID 120993203) has the molecular formula C20H33ClN4O and a molecular weight of 380.96 g/mol. Its IUPAC name is (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone;hydrochloride
PubChem CID120993203
Molecular FormulaC20H33ClN4O
Molecular Weight380.96 g/mol
Exact Mass380.23
IUPAC Name(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone;hydrochloride
SMILESCl.Cn1ccnc1CC1CCN(C(=O)C2CC3CCCC(C2)C3N)CC1
InChIInChI=1S/C20H32N4O.ClH/c1-23-10-7-22-18(23)11-14-5-8-24(9-6-14)20(25)17-12-15-3-2-4-16(13-17)19(15)21;/h7,10,14-17,19H,2-6,8-9,11-13,21H2,1H3;1H
InChIKeyOROWHPPJRVAJRS-UHFFFAOYSA-N
XLogP2.78
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.96
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylpiperidin-1-yl)methanone
CID 120986818
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 120989635
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride
CID 120983573
N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 120988415
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone
CID 120983574
(9-amino-3-bicyclo[3.3.1]nonanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120991436
(9-amino-3-bicyclo[3.3.1]nonanyl)-(4-ethylsulfonylpiperazin-1-yl)methanone;hydrochloride
CID 120988116
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120988357
(9-amino-3-bicyclo[3.3.1]nonanyl)-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methanone;hydrochloride
CID 120992922
2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone
CID 110269320
ethyl 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidine-4-carboxylate
CID 120983615
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]-2-cyclohexylethanone
CID 120988358

Frequently Asked Questions

What is the IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone;hydrochloride (CID 120993203) is (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone;hydrochloride is Cl.Cn1ccnc1CC1CCN(C(=O)C2CC3CCCC(C2)C3N)CC1.
What is the InChIKey of (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone;hydrochloride?
The InChIKey is OROWHPPJRVAJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O.ClH/c1-23-10-7-22-18(23)11-14-5-8-24(9-6-14)20(25)17-12-15-3-2-4-16(13-17)19(15)21;/h7,10,14-17,19H,2-6,8-9,11-13,21H2,1H3;1H.
What are the key properties of (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone;hydrochloride?
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone;hydrochloride has a molecular weight of 380.96 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-amino-3-bicyclo[3.3.1]nonanyl)-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120993203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).