ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone

C18H27NO — CID 144893493

IUPACethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
SMILESCC.CC1CCN(C(=O)C2(c3ccccc3)CC2)CC1
InChIInChI=1S/C16H21NO.C2H6/c1-13-7-11-17(12-8-13)15(18)16(9-10-16)14-5-3-2-4-6-14;1-2/h2-6,13H,7-12H2,1H3;1-2H3
InChIKeyKCUGABHPRMDQLK-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.00
Rot. Bonds2

About ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone

ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone (PubChem CID 144893493) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Nameethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
PubChem CID144893493
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Nameethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
SMILESCC.CC1CCN(C(=O)C2(c3ccccc3)CC2)CC1
InChIInChI=1S/C16H21NO.C2H6/c1-13-7-11-17(12-8-13)15(18)16(9-10-16)14-5-3-2-4-6-14;1-2/h2-6,13H,7-12H2,1H3;1-2H3
InChIKeyKCUGABHPRMDQLK-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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CID 71490

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone?
The IUPAC name of ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone (CID 144893493) is ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone?
The canonical SMILES for ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone is CC.CC1CCN(C(=O)C2(c3ccccc3)CC2)CC1.
What is the InChIKey of ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone?
The InChIKey is KCUGABHPRMDQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO.C2H6/c1-13-7-11-17(12-8-13)15(18)16(9-10-16)14-5-3-2-4-6-14;1-2/h2-6,13H,7-12H2,1H3;1-2H3.
What are the key properties of ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone?
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone has a molecular weight of 273.42 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 144893493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).