[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone

C21H29ClN2O2 — CID 59686095

IUPAC[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone
SMILESCC(C)N1CC2(CCN(C(=O)C3CCCO3)CC2)C1c1ccc(Cl)cc1
InChIInChI=1S/C21H29ClN2O2/c1-15(2)24-14-21(19(24)16-5-7-17(22)8-6-16)9-11-23(12-10-21)20(25)18-4-3-13-26-18/h5-8,15,18-19H,3-4,9-14H2,1-2H3
InChIKeyADGDHIIWMQBLIO-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.89
Rot. Bonds3

About [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone

[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone (PubChem CID 59686095) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone
PubChem CID59686095
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC Name[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone
SMILESCC(C)N1CC2(CCN(C(=O)C3CCCO3)CC2)C1c1ccc(Cl)cc1
InChIInChI=1S/C21H29ClN2O2/c1-15(2)24-14-21(19(24)16-5-7-17(22)8-6-16)9-11-23(12-10-21)20(25)18-4-3-13-26-18/h5-8,15,18-19H,3-4,9-14H2,1-2H3
InChIKeyADGDHIIWMQBLIO-UHFFFAOYSA-N
XLogP3.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chlorobenzyl)-8-(methoxyacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70760172
3-[(2R,5S)-9-[(4-chlorophenyl)methyl]-1-oxa-9-azaspiro[4.5]decan-2-yl]-N,N-diethylpropanamide
CID 60160508
3-[(2S,5S)-9-[(4-chlorophenyl)methyl]-1-oxa-9-azaspiro[4.5]decan-2-yl]-N,N-diethylpropanamide
CID 60160519
4-[(2-Chloro-4-fluorophenyl)methyl]piperazinyl oxolan-2-yl ketone
CID 2971116
[4-[(2-Chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 6467134
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 7346802
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 7346804
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 8059907
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 8059909
9-(4-Chloro-3-fluorobenzyl)-2-(tetrahydrofuran-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70706325
N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]oxolane-2-carboxamide
CID 84592465
9-[(4-chloro-3-fluorophenyl)methyl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97121875

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone (CID 59686095) is [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone is CC(C)N1CC2(CCN(C(=O)C3CCCO3)CC2)C1c1ccc(Cl)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone?
The InChIKey is ADGDHIIWMQBLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O2/c1-15(2)24-14-21(19(24)16-5-7-17(22)8-6-16)9-11-23(12-10-21)20(25)18-4-3-13-26-18/h5-8,15,18-19H,3-4,9-14H2,1-2H3.
What are the key properties of [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone?
[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone has a molecular weight of 376.93 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 59686095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).