1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide

C23H33N3O2 — CID 120984003

IUPAC1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide
SMILESNC1C2CCCC1CC(C(=O)N1CCC(C(=O)NCc3ccccc3)CC1)C2
InChIInChI=1S/C23H33N3O2/c24-21-18-7-4-8-19(21)14-20(13-18)23(28)26-11-9-17(10-12-26)22(27)25-15-16-5-2-1-3-6-16/h1-3,5-6,17-21H,4,7-15,24H2,(H,25,27)
InChIKeyYWDMGWDLGNQLMO-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.69
Rot. Bonds4

About 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide

1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide (PubChem CID 120984003) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide
PubChem CID120984003
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide
SMILESNC1C2CCCC1CC(C(=O)N1CCC(C(=O)NCc3ccccc3)CC1)C2
InChIInChI=1S/C23H33N3O2/c24-21-18-7-4-8-19(21)14-20(13-18)23(28)26-11-9-17(10-12-26)22(27)25-15-16-5-2-1-3-6-16/h1-3,5-6,17-21H,4,7-15,24H2,(H,25,27)
InChIKeyYWDMGWDLGNQLMO-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 120984529
N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 99843263
N-benzylcyclobutanecarboxamide
CID 730128
N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119692939
N-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide
CID 24654786
1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985547
N-benzylcyclopentanecarboxamide
CID 835634
1-(cyclopropanecarbonyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 31642647
N-benzyl-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxamide
CID 20968119
N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide
CID 120991772
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914

Frequently Asked Questions

What is the IUPAC name of 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide?
The IUPAC name of 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide (CID 120984003) is 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide?
The canonical SMILES for 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide is NC1C2CCCC1CC(C(=O)N1CCC(C(=O)NCc3ccccc3)CC1)C2.
What is the InChIKey of 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide?
The InChIKey is YWDMGWDLGNQLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c24-21-18-7-4-8-19(21)14-20(13-18)23(28)26-11-9-17(10-12-26)22(27)25-15-16-5-2-1-3-6-16/h1-3,5-6,17-21H,4,7-15,24H2,(H,25,27).
What are the key properties of 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide?
1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide is sourced from PubChem (CID 120984003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).