9-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide

C18H31N3O2 — CID 120989417

IUPAC9-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESC[C@H](NC(=O)C1CC2CCCC(C1)C2N)C(=O)N1CCCCC1
InChIInChI=1S/C18H31N3O2/c1-12(18(23)21-8-3-2-4-9-21)20-17(22)15-10-13-6-5-7-14(11-15)16(13)19/h12-16H,2-11,19H2,1H3,(H,20,22)/t12-,13?,14?,15?,16?/m0/s1
InChIKeyQFHKNWIPXXWMNT-AXQFOSQISA-N
MW321.47 g/mol
LogP1.66
Rot. Bonds3

About 9-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120989417) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 9-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120989417
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name9-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESC[C@H](NC(=O)C1CC2CCCC(C1)C2N)C(=O)N1CCCCC1
InChIInChI=1S/C18H31N3O2/c1-12(18(23)21-8-3-2-4-9-21)20-17(22)15-10-13-6-5-7-14(11-15)16(13)19/h12-16H,2-11,19H2,1H3,(H,20,22)/t12-,13?,14?,15?,16?/m0/s1
InChIKeyQFHKNWIPXXWMNT-AXQFOSQISA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983266
methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
CID 120985037
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentanecarboxamide
CID 42702289
2-amino-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 112701757
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone;hydrochloride
CID 120983573
3-amino-N-(1-morpholin-4-yl-1-oxopropan-2-yl)cyclohexane-1-carboxamide
CID 115738752
(9-amino-3-bicyclo[3.3.1]nonanyl)-(azocan-1-yl)methanone
CID 120983574
9-amino-N-(1-anilino-1-oxopropan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989646
9-amino-N-[3-(azepan-1-yl)-3-oxopropyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988149
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-2-carboxamide;hydrochloride
CID 119292041
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 154863211

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120989417) is 9-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide is C[C@H](NC(=O)C1CC2CCCC(C1)C2N)C(=O)N1CCCCC1.
What is the InChIKey of 9-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is QFHKNWIPXXWMNT-AXQFOSQISA-N. The full InChI is InChI=1S/C18H31N3O2/c1-12(18(23)21-8-3-2-4-9-21)20-17(22)15-10-13-6-5-7-14(11-15)16(13)19/h12-16H,2-11,19H2,1H3,(H,20,22)/t12-,13?,14?,15?,16?/m0/s1.
What are the key properties of 9-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120989417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).