piperidin-1-yl-(1-propan-2-ylcyclopropyl)methanone

C12H21NO — CID 58584548

IUPACpiperidin-1-yl-(1-propan-2-ylcyclopropyl)methanone
SMILESCC(C)C1(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C12H21NO/c1-10(2)12(6-7-12)11(14)13-8-4-3-5-9-13/h10H,3-9H2,1-2H3
InChIKeyJROANADINQTFSM-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.44
Rot. Bonds2

About piperidin-1-yl-(1-propan-2-ylcyclopropyl)methanone

piperidin-1-yl-(1-propan-2-ylcyclopropyl)methanone (PubChem CID 58584548) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is piperidin-1-yl-(1-propan-2-ylcyclopropyl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(1-propan-2-ylcyclopropyl)methanone
PubChem CID58584548
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Namepiperidin-1-yl-(1-propan-2-ylcyclopropyl)methanone
SMILESCC(C)C1(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C12H21NO/c1-10(2)12(6-7-12)11(14)13-8-4-3-5-9-13/h10H,3-9H2,1-2H3
InChIKeyJROANADINQTFSM-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(1-propan-2-ylcyclopropyl)methanone?
The IUPAC name of piperidin-1-yl-(1-propan-2-ylcyclopropyl)methanone (CID 58584548) is piperidin-1-yl-(1-propan-2-ylcyclopropyl)methanone.
What is the SMILES notation for piperidin-1-yl-(1-propan-2-ylcyclopropyl)methanone?
The canonical SMILES for piperidin-1-yl-(1-propan-2-ylcyclopropyl)methanone is CC(C)C1(C(=O)N2CCCCC2)CC1.
What is the InChIKey of piperidin-1-yl-(1-propan-2-ylcyclopropyl)methanone?
The InChIKey is JROANADINQTFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10(2)12(6-7-12)11(14)13-8-4-3-5-9-13/h10H,3-9H2,1-2H3.
What are the key properties of piperidin-1-yl-(1-propan-2-ylcyclopropyl)methanone?
piperidin-1-yl-(1-propan-2-ylcyclopropyl)methanone has a molecular weight of 195.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(1-propan-2-ylcyclopropyl)methanone is sourced from PubChem (CID 58584548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).