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

C23H33N3O2 — CID 120991772

IUPACN-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide
SMILESNC1C2CCCC1CC(C(=O)N1CCCC(CNC(=O)c3ccccc3)C1)C2
InChIInChI=1S/C23H33N3O2/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)
InChIKeyDPDPEPHHQQBGQO-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.81
Rot. Bonds4

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

N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide (PubChem CID 120991772) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide
PubChem CID120991772
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide
SMILESNC1C2CCCC1CC(C(=O)N1CCCC(CNC(=O)c3ccccc3)C1)C2
InChIInChI=1S/C23H33N3O2/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)
InChIKeyDPDPEPHHQQBGQO-UHFFFAOYSA-N
XLogP2.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride
CID 120991771
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide
CID 119313467
N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 119313487
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
3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid
CID 68520586
9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984907
N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide;hydrochloride
CID 120988415

Frequently Asked Questions

What is the IUPAC name of N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide (CID 120991772) is N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide is 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?
The InChIKey is DPDPEPHHQQBGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/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).
What are the key properties of N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide?
N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 383.54 g/mol, XLogP of 2.81, 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 is sourced from PubChem (CID 120991772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).