1-[9-(propan-2-ylamino)-3-azaspiro[5.5]undecan-3-yl]-2-(4-propylpiperazin-1-yl)ethanone

C22H42N4O — CID 170031552

IUPAC1-[9-(propan-2-ylamino)-3-azaspiro[5.5]undecan-3-yl]-2-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(CC(=O)N2CCC3(CCC(NC(C)C)CC3)CC2)CC1
InChIInChI=1S/C22H42N4O/c1-4-11-24-14-16-25(17-15-24)18-21(27)26-12-9-22(10-13-26)7-5-20(6-8-22)23-19(2)3/h19-20,23H,4-18H2,1-3H3
InChIKeyNLXFPGSQDBUHQY-UHFFFAOYSA-N
MW378.61 g/mol
LogP2.56
Rot. Bonds6

About 1-[9-(propan-2-ylamino)-3-azaspiro[5.5]undecan-3-yl]-2-(4-propylpiperazin-1-yl)ethanone

1-[9-(propan-2-ylamino)-3-azaspiro[5.5]undecan-3-yl]-2-(4-propylpiperazin-1-yl)ethanone (PubChem CID 170031552) has the molecular formula C22H42N4O and a molecular weight of 378.61 g/mol. Its IUPAC name is 1-[9-(propan-2-ylamino)-3-azaspiro[5.5]undecan-3-yl]-2-(4-propylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[9-(propan-2-ylamino)-3-azaspiro[5.5]undecan-3-yl]-2-(4-propylpiperazin-1-yl)ethanone
PubChem CID170031552
Molecular FormulaC22H42N4O
Molecular Weight378.61 g/mol
Exact Mass378.34
IUPAC Name1-[9-(propan-2-ylamino)-3-azaspiro[5.5]undecan-3-yl]-2-(4-propylpiperazin-1-yl)ethanone
SMILESCCCN1CCN(CC(=O)N2CCC3(CCC(NC(C)C)CC3)CC2)CC1
InChIInChI=1S/C22H42N4O/c1-4-11-24-14-16-25(17-15-24)18-21(27)26-12-9-22(10-13-26)7-5-20(6-8-22)23-19(2)3/h19-20,23H,4-18H2,1-3H3
InChIKeyNLXFPGSQDBUHQY-UHFFFAOYSA-N
XLogP2.56
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[9-(propan-2-ylamino)-3-azaspiro[5.5]undecan-3-yl]-2-(4-propylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 89072510
2-methoxy-1-[9-(4-propylpiperazin-1-yl)-3-azaspiro[5.5]undecan-3-yl]ethanone
CID 56714265
ethane;1-(9-propyl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 155751989
2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid
CID 163704701
1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]ethanone
CID 60695761
1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 154888181
1-(4-tert-butyl-4-methylpiperidin-1-yl)-2-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 156551441
2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 43401252
1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]propan-1-one
CID 60677287
2-(4-methylpiperazin-1-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone
CID 170861389
1-butyl-N-propan-2-ylpiperidin-4-amine
CID 43748392
1-(8-azaspiro[4.5]decan-8-yl)-2-piperazin-1-ylethanone
CID 63163322

Frequently Asked Questions

What is the IUPAC name of 1-[9-(propan-2-ylamino)-3-azaspiro[5.5]undecan-3-yl]-2-(4-propylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[9-(propan-2-ylamino)-3-azaspiro[5.5]undecan-3-yl]-2-(4-propylpiperazin-1-yl)ethanone (CID 170031552) is 1-[9-(propan-2-ylamino)-3-azaspiro[5.5]undecan-3-yl]-2-(4-propylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[9-(propan-2-ylamino)-3-azaspiro[5.5]undecan-3-yl]-2-(4-propylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[9-(propan-2-ylamino)-3-azaspiro[5.5]undecan-3-yl]-2-(4-propylpiperazin-1-yl)ethanone is CCCN1CCN(CC(=O)N2CCC3(CCC(NC(C)C)CC3)CC2)CC1.
What is the InChIKey of 1-[9-(propan-2-ylamino)-3-azaspiro[5.5]undecan-3-yl]-2-(4-propylpiperazin-1-yl)ethanone?
The InChIKey is NLXFPGSQDBUHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O/c1-4-11-24-14-16-25(17-15-24)18-21(27)26-12-9-22(10-13-26)7-5-20(6-8-22)23-19(2)3/h19-20,23H,4-18H2,1-3H3.
What are the key properties of 1-[9-(propan-2-ylamino)-3-azaspiro[5.5]undecan-3-yl]-2-(4-propylpiperazin-1-yl)ethanone?
1-[9-(propan-2-ylamino)-3-azaspiro[5.5]undecan-3-yl]-2-(4-propylpiperazin-1-yl)ethanone has a molecular weight of 378.61 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(propan-2-ylamino)-3-azaspiro[5.5]undecan-3-yl]-2-(4-propylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170031552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).