[1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

C25H36N2O3 — CID 91919120

IUPAC[1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCOc1ccc(C2(C(=O)N3CCC4(CC3)CC(N3CCCCC3)CCO4)CC2)cc1
InChIInChI=1S/C25H36N2O3/c1-29-22-7-5-20(6-8-22)25(10-11-25)23(28)27-16-12-24(13-17-27)19-21(9-18-30-24)26-14-3-2-4-15-26/h5-8,21H,2-4,9-19H2,1H3
InChIKeyZSQVYUPLPNGMQJ-UHFFFAOYSA-N
MW412.57 g/mol
LogP3.75
Rot. Bonds4

About [1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

[1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 91919120) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID91919120
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Name[1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESCOc1ccc(C2(C(=O)N3CCC4(CC3)CC(N3CCCCC3)CCO4)CC2)cc1
InChIInChI=1S/C25H36N2O3/c1-29-22-7-5-20(6-8-22)25(10-11-25)23(28)27-16-12-24(13-17-27)19-21(9-18-30-24)26-14-3-2-4-15-26/h5-8,21H,2-4,9-19H2,1H3
InChIKeyZSQVYUPLPNGMQJ-UHFFFAOYSA-N
XLogP3.75
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462226
[1-(4-methoxyphenyl)cyclopropyl]-(2-methylpiperidin-1-yl)methanone
CID 110485731
[1-(4-methoxyphenyl)cyclopropyl]-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 91831896
cyclopentyl-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 164626454
2-(4-methoxyphenyl)-1-[(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 164633890
N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91908254
(2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97477597
1-[1-(1-oxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79906102
[1-(4-fluorophenyl)cyclopropyl]-[4-(oxolan-3-yl)-1,4-diazepan-1-yl]methanone
CID 134160566
(2R)-4-[1-(4-methoxyphenyl)cyclohexanecarbonyl]morpholine-2-carboxamide
CID 94370776
cyclopropyl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462234
methyl (3S)-1-(6-oxaspiro[4.5]decan-9-yl)piperidine-3-carboxylate
CID 115537477

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of [1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 91919120) is [1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for [1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is COc1ccc(C2(C(=O)N3CCC4(CC3)CC(N3CCCCC3)CCO4)CC2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is ZSQVYUPLPNGMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-29-22-7-5-20(6-8-22)25(10-11-25)23(28)27-16-12-24(13-17-27)19-21(9-18-30-24)26-14-3-2-4-15-26/h5-8,21H,2-4,9-19H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
[1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 412.57 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)cyclopropyl]-(4-piperidin-1-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 91919120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).