1-(4-methylpiperazin-1-yl)-2-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)ethanone

C19H27N3O — CID 122463433

IUPAC1-(4-methylpiperazin-1-yl)-2-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)ethanone
SMILESCN1CCN(C(=O)CNC2CC23CCCc2ccccc23)CC1
InChIInChI=1S/C19H27N3O/c1-21-9-11-22(12-10-21)18(23)14-20-17-13-19(17)8-4-6-15-5-2-3-7-16(15)19/h2-3,5,7,17,20H,4,6,8-14H2,1H3
InChIKeyFEIXLGMIAKODSZ-UHFFFAOYSA-N
MW313.45 g/mol
LogP1.40
Rot. Bonds3

About 1-(4-methylpiperazin-1-yl)-2-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)ethanone

1-(4-methylpiperazin-1-yl)-2-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)ethanone (PubChem CID 122463433) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)ethanone
PubChem CID122463433
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)ethanone
SMILESCN1CCN(C(=O)CNC2CC23CCCc2ccccc23)CC1
InChIInChI=1S/C19H27N3O/c1-21-9-11-22(12-10-21)18(23)14-20-17-13-19(17)8-4-6-15-5-2-3-7-16(15)19/h2-3,5,7,17,20H,4,6,8-14H2,1H3
InChIKeyFEIXLGMIAKODSZ-UHFFFAOYSA-N
XLogP1.40
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)ethanone (CID 122463433) is 1-(4-methylpiperazin-1-yl)-2-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)ethanone is CN1CCN(C(=O)CNC2CC23CCCc2ccccc23)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)ethanone?
The InChIKey is FEIXLGMIAKODSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-21-9-11-22(12-10-21)18(23)14-20-17-13-19(17)8-4-6-15-5-2-3-7-16(15)19/h2-3,5,7,17,20H,4,6,8-14H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)ethanone?
1-(4-methylpiperazin-1-yl)-2-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)ethanone has a molecular weight of 313.45 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylamino)ethanone is sourced from PubChem (CID 122463433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).