ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea

C24H34N4O2 — CID 153403891

IUPACethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
SMILESCC.CN1CCC(COc2cc(-c3ccc4c(c3NC(N)=O)CCC4)ccn2)CC1
InChIInChI=1S/C22H28N4O2.C2H6/c1-26-11-8-15(9-12-26)14-28-20-13-17(7-10-24-20)19-6-5-16-3-2-4-18(16)21(19)25-22(23)27;1-2/h5-7,10,13,15H,2-4,8-9,11-12,14H2,1H3,(H3,23,25,27);1-2H3
InChIKeyGWQNRSHVUIPWDI-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.47
Rot. Bonds5

About ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea

ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea (PubChem CID 153403891) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea.

Molecular Properties

Compound Nameethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
PubChem CID153403891
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Nameethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
SMILESCC.CN1CCC(COc2cc(-c3ccc4c(c3NC(N)=O)CCC4)ccn2)CC1
InChIInChI=1S/C22H28N4O2.C2H6/c1-26-11-8-15(9-12-26)14-28-20-13-17(7-10-24-20)19-6-5-16-3-2-4-18(16)21(19)25-22(23)27;1-2/h5-7,10,13,15H,2-4,8-9,11-12,14H2,1H3,(H3,23,25,27);1-2H3
InChIKeyGWQNRSHVUIPWDI-UHFFFAOYSA-N
XLogP4.47
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea?
The IUPAC name of ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea (CID 153403891) is ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea.
What is the SMILES notation for ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea?
The canonical SMILES for ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea is CC.CN1CCC(COc2cc(-c3ccc4c(c3NC(N)=O)CCC4)ccn2)CC1.
What is the InChIKey of ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea?
The InChIKey is GWQNRSHVUIPWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2.C2H6/c1-26-11-8-15(9-12-26)14-28-20-13-17(7-10-24-20)19-6-5-16-3-2-4-18(16)21(19)25-22(23)27;1-2/h5-7,10,13,15H,2-4,8-9,11-12,14H2,1H3,(H3,23,25,27);1-2H3.
What are the key properties of ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea?
ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea has a molecular weight of 410.56 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea is sourced from PubChem (CID 153403891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).