(1-methylcyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone

C13H23NO — CID 58394689

IUPAC(1-methylcyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone
SMILESCC(C)[C@@H]1CCCN(C(=O)C2(C)CC2)C1
InChIInChI=1S/C13H23NO/c1-10(2)11-5-4-8-14(9-11)12(15)13(3)6-7-13/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyDJHXWVYKCIEHRY-LLVKDONJSA-N
MW209.33 g/mol
LogP2.68
Rot. Bonds2

About (1-methylcyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone

(1-methylcyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone (PubChem CID 58394689) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (1-methylcyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylcyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone
PubChem CID58394689
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(1-methylcyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone
SMILESCC(C)[C@@H]1CCCN(C(=O)C2(C)CC2)C1
InChIInChI=1S/C13H23NO/c1-10(2)11-5-4-8-14(9-11)12(15)13(3)6-7-13/h10-11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyDJHXWVYKCIEHRY-LLVKDONJSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone?
The IUPAC name of (1-methylcyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone (CID 58394689) is (1-methylcyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (1-methylcyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone?
The canonical SMILES for (1-methylcyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone is CC(C)[C@@H]1CCCN(C(=O)C2(C)CC2)C1.
What is the InChIKey of (1-methylcyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone?
The InChIKey is DJHXWVYKCIEHRY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)11-5-4-8-14(9-11)12(15)13(3)6-7-13/h10-11H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (1-methylcyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone?
(1-methylcyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone has a molecular weight of 209.33 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 58394689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).