3-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]benzonitrile

C24H27N3O2 — CID 131655214

IUPAC3-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCC3(CCCN(CCOc4ccccc4)C3)C2)c1
InChIInChI=1S/C24H27N3O2/c25-17-20-6-4-7-21(16-20)23(28)27-13-11-24(19-27)10-5-12-26(18-24)14-15-29-22-8-2-1-3-9-22/h1-4,6-9,16H,5,10-15,18-19H2
InChIKeyQJAPXDHKMZZIHC-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.57
Rot. Bonds5

About 3-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]benzonitrile

3-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]benzonitrile (PubChem CID 131655214) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 3-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]benzonitrile.

Molecular Properties

Compound Name3-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
PubChem CID131655214
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name3-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
SMILESN#Cc1cccc(C(=O)N2CCC3(CCCN(CCOc4ccccc4)C3)C2)c1
InChIInChI=1S/C24H27N3O2/c25-17-20-6-4-7-21(16-20)23(28)27-13-11-24(19-27)10-5-12-26(18-24)14-15-29-22-8-2-1-3-9-22/h1-4,6-9,16H,5,10-15,18-19H2
InChIKeyQJAPXDHKMZZIHC-UHFFFAOYSA-N
XLogP3.57
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone
CID 97483411
(6-methyl-3-pyridinyl)-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649232
2-(3-methoxyphenyl)-1-[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 97483457
3-[8-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 97370042
2-(4-fluorophenyl)-1-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 131662022
3-[2-(8-azaspiro[4.5]decan-8-yl)ethoxy]benzonitrile
CID 63160927
(3-methoxyphenyl)-[(5S)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482722
(3-methoxyphenyl)-[(5R)-9-[(3-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 97482724
[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone
CID 45195230
[4-[3-(2-phenoxyethoxy)benzoyl]piperazin-1-yl]-[3-(2-phenoxyethoxy)phenyl]methanone
CID 4955546
3-[(5R)-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carbonyl]benzonitrile
CID 97471967
(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 134078666

Frequently Asked Questions

What is the IUPAC name of 3-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]benzonitrile?
The IUPAC name of 3-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]benzonitrile (CID 131655214) is 3-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]benzonitrile.
What is the SMILES notation for 3-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]benzonitrile?
The canonical SMILES for 3-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]benzonitrile is N#Cc1cccc(C(=O)N2CCC3(CCCN(CCOc4ccccc4)C3)C2)c1.
What is the InChIKey of 3-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]benzonitrile?
The InChIKey is QJAPXDHKMZZIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c25-17-20-6-4-7-21(16-20)23(28)27-13-11-24(19-27)10-5-12-26(18-24)14-15-29-22-8-2-1-3-9-22/h1-4,6-9,16H,5,10-15,18-19H2.
What are the key properties of 3-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]benzonitrile?
3-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]benzonitrile has a molecular weight of 389.50 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]benzonitrile is sourced from PubChem (CID 131655214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).