N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride

C23H34ClN3O2 — CID 120991771

IUPACN-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)N1CCCC(CNC(=O)c3ccccc3)C1)C2
InChIInChI=1S/C23H33N3O2.ClH/c24-21-18-9-4-10-19(21)13-20(12-18)23(28)26-11-5-6-16(15-26)14-25-22(27)17-7-2-1-3-8-17;/h1-3,7-8,16,18-21H,4-6,9-15,24H2,(H,25,27);1H
InChIKeyUMMPATNEYBLPBT-UHFFFAOYSA-N
MW420.00 g/mol
LogP3.23
Rot. Bonds4

About N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride

N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride (PubChem CID 120991771) has the molecular formula C23H34ClN3O2 and a molecular weight of 420.00 g/mol. Its IUPAC name is N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride
PubChem CID120991771
Molecular FormulaC23H34ClN3O2
Molecular Weight420.00 g/mol
Exact Mass419.23
IUPAC NameN-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)N1CCCC(CNC(=O)c3ccccc3)C1)C2
InChIInChI=1S/C23H33N3O2.ClH/c24-21-18-9-4-10-19(21)13-20(12-18)23(28)26-11-5-6-16(15-26)14-25-22(27)17-7-2-1-3-8-17;/h1-3,7-8,16,18-21H,4-6,9-15,24H2,(H,25,27);1H
InChIKeyUMMPATNEYBLPBT-UHFFFAOYSA-N
XLogP3.23
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.00
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride with MolForge

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Related Compounds

N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide
CID 120991772
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 119313467
9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984907
N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 119313487
N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 120988415
N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride
CID 119766235
4-[[[3-(benzamidomethyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020331
[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 120984529
(9-amino-3-bicyclo[3.3.1]nonanyl)-(3-propylpiperidin-1-yl)methanone
CID 120992451
N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 126814045
1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide
CID 120984003

Frequently Asked Questions

What is the IUPAC name of N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride?
The IUPAC name of N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride (CID 120991771) is N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride.
What is the SMILES notation for N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride?
The canonical SMILES for N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)N1CCCC(CNC(=O)c3ccccc3)C1)C2.
What is the InChIKey of N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride?
The InChIKey is UMMPATNEYBLPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2.ClH/c24-21-18-9-4-10-19(21)13-20(12-18)23(28)26-11-5-6-16(15-26)14-25-22(27)17-7-2-1-3-8-17;/h1-3,7-8,16,18-21H,4-6,9-15,24H2,(H,25,27);1H.
What are the key properties of N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride?
N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride has a molecular weight of 420.00 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 120991771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).