2-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-2-yl]acetamide;hydrochloride

C17H30ClN3O2 — CID 120993476

IUPAC2-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-2-yl]acetamide;hydrochloride
SMILESCl.NC(=O)CC1CCCCN1C(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C17H29N3O2.ClH/c18-15(21)10-14-6-1-2-7-20(14)17(22)13-8-11-4-3-5-12(9-13)16(11)19;/h11-14,16H,1-10,19H2,(H2,18,21);1H
InChIKeyYVVGUTDCDFDWSX-UHFFFAOYSA-N
MW343.90 g/mol
LogP1.82
Rot. Bonds3

About 2-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-2-yl]acetamide;hydrochloride

2-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-2-yl]acetamide;hydrochloride (PubChem CID 120993476) has the molecular formula C17H30ClN3O2 and a molecular weight of 343.90 g/mol. Its IUPAC name is 2-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-2-yl]acetamide;hydrochloride
PubChem CID120993476
Molecular FormulaC17H30ClN3O2
Molecular Weight343.90 g/mol
Exact Mass343.20
IUPAC Name2-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-2-yl]acetamide;hydrochloride
SMILESCl.NC(=O)CC1CCCCN1C(=O)C1CC2CCCC(C1)C2N
InChIInChI=1S/C17H29N3O2.ClH/c18-15(21)10-14-6-1-2-7-20(14)17(22)13-8-11-4-3-5-12(9-13)16(11)19;/h11-14,16H,1-10,19H2,(H2,18,21);1H
InChIKeyYVVGUTDCDFDWSX-UHFFFAOYSA-N
XLogP1.82
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,5-diethylpiperazin-1-yl]ethanone;hydrochloride
CID 120991549
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride
CID 120983573
(9-amino-3-bicyclo[3.3.1]nonanyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120987548
2-(1-acetylpyrrolidin-2-yl)acetamide
CID 127011222
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone
CID 120983574
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120988357
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl-(9-amino-3-bicyclo[3.3.1]nonanyl)methanone;hydrochloride
CID 120992046
2-[1-[(2S)-2-aminopropanoyl]piperidin-2-yl]acetamide;hydrochloride
CID 119307888
2-[1-[2-(methylamino)acetyl]piperidin-2-yl]acetamide;hydrochloride
CID 119756579
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]-2-cyclohexylethanone
CID 120988358
3-bicyclo[3.1.0]hexanyl-[(2S)-2-(chloromethyl)pyrrolidin-1-yl]methanone
CID 164655881
(9-amino-3-bicyclo[3.3.1]nonanyl)-morpholin-4-ylmethanone;hydrochloride
CID 120983451

Frequently Asked Questions

What is the IUPAC name of 2-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-2-yl]acetamide;hydrochloride (CID 120993476) is 2-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-2-yl]acetamide;hydrochloride is Cl.NC(=O)CC1CCCCN1C(=O)C1CC2CCCC(C1)C2N.
What is the InChIKey of 2-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-2-yl]acetamide;hydrochloride?
The InChIKey is YVVGUTDCDFDWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.ClH/c18-15(21)10-14-6-1-2-7-20(14)17(22)13-8-11-4-3-5-12(9-13)16(11)19;/h11-14,16H,1-10,19H2,(H2,18,21);1H.
What are the key properties of 2-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-2-yl]acetamide;hydrochloride?
2-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-2-yl]acetamide;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 120993476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).