2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone

C11H20N2O — CID 93300981

IUPAC2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCCN(C(=O)CNC2CC2)C1
InChIInChI=1S/C11H20N2O/c1-9-3-2-6-13(8-9)11(14)7-12-10-4-5-10/h9-10,12H,2-8H2,1H3/t9-/m1/s1
InChIKeyJWAHFKFNUBZZFG-SECBINFHSA-N
MW196.29 g/mol
LogP1.00
Rot. Bonds3

About 2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone

2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone (PubChem CID 93300981) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
PubChem CID93300981
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCCN(C(=O)CNC2CC2)C1
InChIInChI=1S/C11H20N2O/c1-9-3-2-6-13(8-9)11(14)7-12-10-4-5-10/h9-10,12H,2-8H2,1H3/t9-/m1/s1
InChIKeyJWAHFKFNUBZZFG-SECBINFHSA-N
XLogP1.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid
CID 61156810
ethyl N-[1-[2-(cyclopropylamino)acetyl]piperidin-3-yl]carbamate
CID 54873299
1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone
CID 60977352
1-(3-methylpiperidin-1-yl)-2-(pentylamino)ethanone
CID 109005936
1-(3-methylpiperidin-1-yl)-2-methylsulfanylethanone
CID 42910082
4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809874
2-(cyclopentylamino)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 94896155
[4-(ethylamino)piperidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 79152580
2-[(3-methylcyclohexyl)amino]-1-morpholin-4-ylethanone
CID 43317875
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
2-(dimethylamino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 131045839
2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 61462383

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone (CID 93300981) is 2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone is C[C@@H]1CCCN(C(=O)CNC2CC2)C1.
What is the InChIKey of 2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
The InChIKey is JWAHFKFNUBZZFG-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9-3-2-6-13(8-9)11(14)7-12-10-4-5-10/h9-10,12H,2-8H2,1H3/t9-/m1/s1.
What are the key properties of 2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone?
2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone has a molecular weight of 196.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-[(3R)-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 93300981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).