ethane;1-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-2-methylpropan-1-one

C18H30N2O — CID 167448079

IUPACethane;1-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-2-methylpropan-1-one
SMILESCC.CCN1CCC(c2ccc(C(=O)C(C)C)nc2)CC1
InChIInChI=1S/C16H24N2O.C2H6/c1-4-18-9-7-13(8-10-18)14-5-6-15(17-11-14)16(19)12(2)3;1-2/h5-6,11-13H,4,7-10H2,1-3H3;1-2H3
InChIKeyJFWYLMPKVZLGHX-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.15
Rot. Bonds4

About ethane;1-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-2-methylpropan-1-one

ethane;1-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-2-methylpropan-1-one (PubChem CID 167448079) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is ethane;1-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-2-methylpropan-1-one.

Molecular Properties

Compound Nameethane;1-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-2-methylpropan-1-one
PubChem CID167448079
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Nameethane;1-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-2-methylpropan-1-one
SMILESCC.CCN1CCC(c2ccc(C(=O)C(C)C)nc2)CC1
InChIInChI=1S/C16H24N2O.C2H6/c1-4-18-9-7-13(8-10-18)14-5-6-15(17-11-14)16(19)12(2)3;1-2/h5-6,11-13H,4,7-10H2,1-3H3;1-2H3
InChIKeyJFWYLMPKVZLGHX-UHFFFAOYSA-N
XLogP4.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-2-methylpropan-1-one?
The IUPAC name of ethane;1-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-2-methylpropan-1-one (CID 167448079) is ethane;1-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-2-methylpropan-1-one.
What is the SMILES notation for ethane;1-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-2-methylpropan-1-one?
The canonical SMILES for ethane;1-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-2-methylpropan-1-one is CC.CCN1CCC(c2ccc(C(=O)C(C)C)nc2)CC1.
What is the InChIKey of ethane;1-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-2-methylpropan-1-one?
The InChIKey is JFWYLMPKVZLGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.C2H6/c1-4-18-9-7-13(8-10-18)14-5-6-15(17-11-14)16(19)12(2)3;1-2/h5-6,11-13H,4,7-10H2,1-3H3;1-2H3.
What are the key properties of ethane;1-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-2-methylpropan-1-one?
ethane;1-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-2-methylpropan-1-one has a molecular weight of 290.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-2-methylpropan-1-one is sourced from PubChem (CID 167448079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).