(3-amino-3-ethylpiperidin-1-yl)-(1-methylcyclopropyl)methanone

C12H22N2O — CID 165465972

IUPAC(3-amino-3-ethylpiperidin-1-yl)-(1-methylcyclopropyl)methanone
SMILESCCC1(N)CCCN(C(=O)C2(C)CC2)C1
InChIInChI=1S/C12H22N2O/c1-3-12(13)5-4-8-14(9-12)10(15)11(2)6-7-11/h3-9,13H2,1-2H3
InChIKeyYWPQXBVLVOCXTD-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.52
Rot. Bonds2

About (3-amino-3-ethylpiperidin-1-yl)-(1-methylcyclopropyl)methanone

(3-amino-3-ethylpiperidin-1-yl)-(1-methylcyclopropyl)methanone (PubChem CID 165465972) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (3-amino-3-ethylpiperidin-1-yl)-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(3-amino-3-ethylpiperidin-1-yl)-(1-methylcyclopropyl)methanone
PubChem CID165465972
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(3-amino-3-ethylpiperidin-1-yl)-(1-methylcyclopropyl)methanone
SMILESCCC1(N)CCCN(C(=O)C2(C)CC2)C1
InChIInChI=1S/C12H22N2O/c1-3-12(13)5-4-8-14(9-12)10(15)11(2)6-7-11/h3-9,13H2,1-2H3
InChIKeyYWPQXBVLVOCXTD-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-1-(1-methylcyclopropanecarbonyl)piperidine-3-carboxamide
CID 136541656
3-amino-3-ethylpyrrolidine-1-carboxamide
CID 163727022
benzyl 3-amino-3-ethylpiperidine-1-carboxylate
CID 165464075
(3-ethyl-3-hydroxyazetidin-1-yl)-(1-methylcyclohexyl)methanone
CID 106827897
1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-3-carboxylic acid
CID 64677649
1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
CID 127370172
3-ethyl-1-(4-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63144873
1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-2-methylpentan-1-one
CID 165447253
tert-butyl 3-amino-3-propylpiperidine-1-carboxylate
CID 83693042
ethyl (3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate
CID 81345163
ethyl (3S)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylate
CID 81344303
1-[3-amino-3-(hydroxymethyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 165443963

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-ethylpiperidin-1-yl)-(1-methylcyclopropyl)methanone?
The IUPAC name of (3-amino-3-ethylpiperidin-1-yl)-(1-methylcyclopropyl)methanone (CID 165465972) is (3-amino-3-ethylpiperidin-1-yl)-(1-methylcyclopropyl)methanone.
What is the SMILES notation for (3-amino-3-ethylpiperidin-1-yl)-(1-methylcyclopropyl)methanone?
The canonical SMILES for (3-amino-3-ethylpiperidin-1-yl)-(1-methylcyclopropyl)methanone is CCC1(N)CCCN(C(=O)C2(C)CC2)C1.
What is the InChIKey of (3-amino-3-ethylpiperidin-1-yl)-(1-methylcyclopropyl)methanone?
The InChIKey is YWPQXBVLVOCXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-12(13)5-4-8-14(9-12)10(15)11(2)6-7-11/h3-9,13H2,1-2H3.
What are the key properties of (3-amino-3-ethylpiperidin-1-yl)-(1-methylcyclopropyl)methanone?
(3-amino-3-ethylpiperidin-1-yl)-(1-methylcyclopropyl)methanone has a molecular weight of 210.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-ethylpiperidin-1-yl)-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 165465972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).