N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride

C20H30ClN3O2S — CID 120987409

IUPACN-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)N1CCC(NC(=O)c3ccsc3)CC1)C2
InChIInChI=1S/C20H29N3O2S.ClH/c21-18-13-2-1-3-14(18)11-16(10-13)20(25)23-7-4-17(5-8-23)22-19(24)15-6-9-26-12-15;/h6,9,12-14,16-18H,1-5,7-8,10-11,21H2,(H,22,24);1H
InChIKeyQYYBJPJGEPTFFL-UHFFFAOYSA-N
MW412.00 g/mol
LogP3.04
Rot. Bonds3

About N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride

N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride (PubChem CID 120987409) has the molecular formula C20H30ClN3O2S and a molecular weight of 412.00 g/mol. Its IUPAC name is N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride
PubChem CID120987409
Molecular FormulaC20H30ClN3O2S
Molecular Weight412.00 g/mol
Exact Mass411.17
IUPAC NameN-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)N1CCC(NC(=O)c3ccsc3)CC1)C2
InChIInChI=1S/C20H29N3O2S.ClH/c21-18-13-2-1-3-14(18)11-16(10-13)20(25)23-7-4-17(5-8-23)22-19(24)15-6-9-26-12-15;/h6,9,12-14,16-18H,1-5,7-8,10-11,21H2,(H,22,24);1H
InChIKeyQYYBJPJGEPTFFL-UHFFFAOYSA-N
XLogP3.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.00
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119752043
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 120986770
N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 120988801
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride
CID 120983573
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119305242
N-(3-aminocyclobutyl)thiophene-3-carboxamide
CID 43594920
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone
CID 120983574
[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 120984529
N-[1-(2-amino-2-methylpentanoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119752077
6-[4-(thiophene-3-carbonylamino)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182545
N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-4-yl]thiophene-3-carboxamide;hydrochloride
CID 120928066
N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578368

Frequently Asked Questions

What is the IUPAC name of N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride (CID 120987409) is N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)N1CCC(NC(=O)c3ccsc3)CC1)C2.
What is the InChIKey of N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride?
The InChIKey is QYYBJPJGEPTFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2S.ClH/c21-18-13-2-1-3-14(18)11-16(10-13)20(25)23-7-4-17(5-8-23)22-19(24)15-6-9-26-12-15;/h6,9,12-14,16-18H,1-5,7-8,10-11,21H2,(H,22,24);1H.
What are the key properties of N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride?
N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride has a molecular weight of 412.00 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 120987409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).