(1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone

C13H23NO — CID 59448278

IUPAC(1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2(C)CC2)CC1
InChIInChI=1S/C13H23NO/c1-10(2)11-4-8-14(9-5-11)12(15)13(3)6-7-13/h10-11H,4-9H2,1-3H3
InChIKeyOJDJBGVFUQKANY-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.68
Rot. Bonds2

About (1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone

(1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 59448278) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID59448278
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2(C)CC2)CC1
InChIInChI=1S/C13H23NO/c1-10(2)11-4-8-14(9-5-11)12(15)13(3)6-7-13/h10-11H,4-9H2,1-3H3
InChIKeyOJDJBGVFUQKANY-UHFFFAOYSA-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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Related Compounds

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1-Piperidino-2-ethyl-1-butanone
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US10730889, Example 32
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1-(3,5-Dimethylpiperidyl)-2-methylpentan-1-one
CID 2904846
3-Methyl-1-(1-piperidinyl)-1-butanone
CID 4075318
1-(4-Tert-butylpiperidin-1-yl)but-2-yn-1-one
CID 13662400
1-(4-Cyclopropylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 126750056
1-(4-Methylpiperidin-1-yl)pentan-1-one
CID 304082
1-(4-Methylpiperidin-1-yl)butan-1-one
CID 304112
Cyclopropylcarboxyl piperide
CID 3285746

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of (1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone (CID 59448278) is (1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for (1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)C2(C)CC2)CC1.
What is the InChIKey of (1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is OJDJBGVFUQKANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)11-4-8-14(9-5-11)12(15)13(3)6-7-13/h10-11H,4-9H2,1-3H3.
What are the key properties of (1-methylcyclopropyl)-(4-propan-2-ylpiperidin-1-yl)methanone?
(1-methylcyclopropyl)-(4-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)-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 59448278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).