(2S)-2-amino-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]pentan-1-one

C18H35N3O — CID 129425239

IUPAC(2S)-2-amino-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCC(CCN2CCCC[C@H]2C)CC1
InChIInChI=1S/C18H35N3O/c1-3-6-17(19)18(22)21-13-9-16(10-14-21)8-12-20-11-5-4-7-15(20)2/h15-17H,3-14,19H2,1-2H3/t15-,17+/m1/s1
InChIKeyXOCVICUQYYPUGB-WBVHZDCISA-N
MW309.50 g/mol
LogP2.62
Rot. Bonds6

About (2S)-2-amino-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]pentan-1-one

(2S)-2-amino-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]pentan-1-one (PubChem CID 129425239) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]pentan-1-one
PubChem CID129425239
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Name(2S)-2-amino-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]pentan-1-one
SMILESCCC[C@H](N)C(=O)N1CCC(CCN2CCCC[C@H]2C)CC1
InChIInChI=1S/C18H35N3O/c1-3-6-17(19)18(22)21-13-9-16(10-14-21)8-12-20-11-5-4-7-15(20)2/h15-17H,3-14,19H2,1-2H3/t15-,17+/m1/s1
InChIKeyXOCVICUQYYPUGB-WBVHZDCISA-N
XLogP2.62
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]pentan-1-one with MolForge

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Related Compounds

2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 120705054
[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-[4-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]methanone
CID 99849066
2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one
CID 119300410
(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-aminopentan-1-one
CID 43650387
(2S)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 93255628
3-amino-1-(2-methylpiperidin-1-yl)nonadecan-4-one
CID 67873009
2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
CID 119307771
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
3-methoxy-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]propan-1-one
CID 97092346
2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one
CID 119294723
(2R)-2-amino-1-[4-(methoxymethyl)piperidin-1-yl]pentan-1-one
CID 103796402

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]pentan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]pentan-1-one (CID 129425239) is (2S)-2-amino-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]pentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]pentan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]pentan-1-one is CCC[C@H](N)C(=O)N1CCC(CCN2CCCC[C@H]2C)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]pentan-1-one?
The InChIKey is XOCVICUQYYPUGB-WBVHZDCISA-N. The full InChI is InChI=1S/C18H35N3O/c1-3-6-17(19)18(22)21-13-9-16(10-14-21)8-12-20-11-5-4-7-15(20)2/h15-17H,3-14,19H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of (2S)-2-amino-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]pentan-1-one?
(2S)-2-amino-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]pentan-1-one has a molecular weight of 309.50 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 129425239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).