cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone

C13H22N2O — CID 43747911

IUPACcyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C13H22N2O/c16-13(11-3-4-11)15-7-5-12(6-8-15)14-9-10-1-2-10/h10-12,14H,1-9H2
InChIKeyAWDXXSRQLNDWIY-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.39
Rot. Bonds4

About cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone

cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (PubChem CID 43747911) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
PubChem CID43747911
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Namecyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C13H22N2O/c16-13(11-3-4-11)15-7-5-12(6-8-15)14-9-10-1-2-10/h10-12,14H,1-9H2
InChIKeyAWDXXSRQLNDWIY-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone (CID 43747911) is cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
The InChIKey is AWDXXSRQLNDWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c16-13(11-3-4-11)15-7-5-12(6-8-15)14-9-10-1-2-10/h10-12,14H,1-9H2.
What are the key properties of cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone?
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone has a molecular weight of 222.33 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 43747911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).