2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one

C12H22N2O — CID 60866949

IUPAC2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCCN1C(=O)C(C)(N)C1CC1
InChIInChI=1S/C12H22N2O/c1-9-5-3-4-8-14(9)11(15)12(2,13)10-6-7-10/h9-10H,3-8,13H2,1-2H3
InChIKeyCCBOTXRHAHNWIJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.51
Rot. Bonds2

About 2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one

2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one (PubChem CID 60866949) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one
PubChem CID60866949
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCCN1C(=O)C(C)(N)C1CC1
InChIInChI=1S/C12H22N2O/c1-9-5-3-4-8-14(9)11(15)12(2,13)10-6-7-10/h9-10H,3-8,13H2,1-2H3
InChIKeyCCBOTXRHAHNWIJ-UHFFFAOYSA-N
XLogP1.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 103429254
2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylazepan-1-yl)propan-1-one
CID 79811691
2-bromo-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 82110102
2-amino-2-cyclopropyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053178
1-(2-amino-2-cyclopropylpropanoyl)pyrrolidine-2-carboxylic acid
CID 61157679
methyl N-[(1S)-1-amino-1-cyclopropyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 137466787
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120607945
2,2,4-trimethyl-1-(2-methylpiperidin-1-yl)pentan-1-one
CID 123881248
2,2-dimethyl-3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropanoic acid
CID 90327802
2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62478863
2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 120607933
N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 114292490

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one (CID 60866949) is 2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one is CC1CCCCN1C(=O)C(C)(N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one?
The InChIKey is CCBOTXRHAHNWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-5-3-4-8-14(9)11(15)12(2,13)10-6-7-10/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one?
2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 60866949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).