(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone

C10H18N2O — CID 89395545

IUPAC(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCN(C(=O)C2(N)CC2)C1
InChIInChI=1S/C10H18N2O/c1-8-3-2-6-12(7-8)9(13)10(11)4-5-10/h8H,2-7,11H2,1H3/t8-/m1/s1
InChIKeyMCGXPEYYQMMWQV-MRVPVSSYSA-N
MW182.27 g/mol
LogP0.74
Rot. Bonds1

About (1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone

(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone (PubChem CID 89395545) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone
PubChem CID89395545
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone
SMILESC[C@@H]1CCCN(C(=O)C2(N)CC2)C1
InChIInChI=1S/C10H18N2O/c1-8-3-2-6-12(7-8)9(13)10(11)4-5-10/h8H,2-7,11H2,1H3/t8-/m1/s1
InChIKeyMCGXPEYYQMMWQV-MRVPVSSYSA-N
XLogP0.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone (CID 89395545) is (1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone is C[C@@H]1CCCN(C(=O)C2(N)CC2)C1.
What is the InChIKey of (1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone?
The InChIKey is MCGXPEYYQMMWQV-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-3-2-6-12(7-8)9(13)10(11)4-5-10/h8H,2-7,11H2,1H3/t8-/m1/s1.
What are the key properties of (1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone?
(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone has a molecular weight of 182.27 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 89395545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).