(2-ethyl-2-methylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone

C13H24N2O — CID 119561939

IUPAC(2-ethyl-2-methylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCCC1(C)CC1C(=O)N1CCC(NC)CC1
InChIInChI=1S/C13H24N2O/c1-4-13(2)9-11(13)12(16)15-7-5-10(14-3)6-8-15/h10-11,14H,4-9H2,1-3H3
InChIKeyLABKKKUNEISOFF-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.63
Rot. Bonds3

About (2-ethyl-2-methylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone

(2-ethyl-2-methylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 119561939) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (2-ethyl-2-methylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-2-methylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID119561939
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(2-ethyl-2-methylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCCC1(C)CC1C(=O)N1CCC(NC)CC1
InChIInChI=1S/C13H24N2O/c1-4-13(2)9-11(13)12(16)15-7-5-10(14-3)6-8-15/h10-11,14H,4-9H2,1-3H3
InChIKeyLABKKKUNEISOFF-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone
CID 119623579
(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone
CID 119374903
(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride
CID 119374902
(3-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone
CID 119379514
cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
(1-ethylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119564125
cyclopentyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60820118
[4-(ethylamino)piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66477778
(2R)-2-ethyl-2-methylcyclopropane-1-carboxylic acid
CID 134970541
2-adamantyl-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562542
4-(methylamino)piperidine-1-carboxamide
CID 43754889
(3,3-difluorocyclohexyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 114226093

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-methylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (2-ethyl-2-methylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone (CID 119561939) is (2-ethyl-2-methylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-2-methylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-2-methylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone is CCC1(C)CC1C(=O)N1CCC(NC)CC1.
What is the InChIKey of (2-ethyl-2-methylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is LABKKKUNEISOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-13(2)9-11(13)12(16)15-7-5-10(14-3)6-8-15/h10-11,14H,4-9H2,1-3H3.
What are the key properties of (2-ethyl-2-methylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone?
(2-ethyl-2-methylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 224.35 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-methylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119561939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).