1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-4-thiophen-2-ylbutan-1-one

C25H34N2OS — CID 45210811

IUPAC1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-4-thiophen-2-ylbutan-1-one
SMILESO=C(CCCc1cccs1)N1CCC2(CCCN(CCCc3ccccc3)C2)C1
InChIInChI=1S/C25H34N2OS/c28-24(13-4-11-23-12-6-19-29-23)27-18-15-25(21-27)14-7-17-26(20-25)16-5-10-22-8-2-1-3-9-22/h1-3,6,8-9,12,19H,4-5,7,10-11,13-18,20-21H2
InChIKeyDOYRHXGEOVEAJB-UHFFFAOYSA-N
MW410.63 g/mol
LogP5.02
Rot. Bonds8

About 1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-4-thiophen-2-ylbutan-1-one

1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-4-thiophen-2-ylbutan-1-one (PubChem CID 45210811) has the molecular formula C25H34N2OS and a molecular weight of 410.63 g/mol. Its IUPAC name is 1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-4-thiophen-2-ylbutan-1-one.

Molecular Properties

Compound Name1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-4-thiophen-2-ylbutan-1-one
PubChem CID45210811
Molecular FormulaC25H34N2OS
Molecular Weight410.63 g/mol
Exact Mass410.24
IUPAC Name1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-4-thiophen-2-ylbutan-1-one
SMILESO=C(CCCc1cccs1)N1CCC2(CCCN(CCCc3ccccc3)C2)C1
InChIInChI=1S/C25H34N2OS/c28-24(13-4-11-23-12-6-19-29-23)27-18-15-25(21-27)14-7-17-26(20-25)16-5-10-22-8-2-1-3-9-22/h1-3,6,8-9,12,19H,4-5,7,10-11,13-18,20-21H2
InChIKeyDOYRHXGEOVEAJB-UHFFFAOYSA-N
XLogP5.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.63
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-4-thiophen-2-ylbutan-1-one with MolForge

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 42508168
2-methyl-N-[2-oxo-2-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]ethyl]propanamide
CID 126426416
2-hydroxy-2-methyl-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 45226995
(E)-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 25289959
(E)-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 45207374
1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one
CID 97393132
[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,3-thiazol-4-yl)methanone
CID 42341584
3-methyl-1-(4-thiophen-2-ylbutanoyl)pyrrolidine-3-carboxylic acid
CID 63146335
1-(4-benzylpiperazin-1-yl)-4-thiophen-2-ylbutan-1-one
CID 78774501
2-(2-methoxyethyl)-8-(4-thiophen-2-ylbutanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72860662
1-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-(tetrazol-1-yl)propan-1-one
CID 45196357
(5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42290294

Frequently Asked Questions

What is the IUPAC name of 1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-4-thiophen-2-ylbutan-1-one?
The IUPAC name of 1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-4-thiophen-2-ylbutan-1-one (CID 45210811) is 1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-4-thiophen-2-ylbutan-1-one.
What is the SMILES notation for 1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-4-thiophen-2-ylbutan-1-one?
The canonical SMILES for 1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-4-thiophen-2-ylbutan-1-one is O=C(CCCc1cccs1)N1CCC2(CCCN(CCCc3ccccc3)C2)C1.
What is the InChIKey of 1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-4-thiophen-2-ylbutan-1-one?
The InChIKey is DOYRHXGEOVEAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2OS/c28-24(13-4-11-23-12-6-19-29-23)27-18-15-25(21-27)14-7-17-26(20-25)16-5-10-22-8-2-1-3-9-22/h1-3,6,8-9,12,19H,4-5,7,10-11,13-18,20-21H2.
What are the key properties of 1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-4-thiophen-2-ylbutan-1-one?
1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-4-thiophen-2-ylbutan-1-one has a molecular weight of 410.63 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-4-thiophen-2-ylbutan-1-one is sourced from PubChem (CID 45210811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).