3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone

C20H30N2O3 — CID 119047693

IUPAC3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC3(CCNCC3)CC2)ccc1OC(C)C
InChIInChI=1S/C20H30N2O3/c1-15(2)25-17-5-4-16(14-18(17)24-3)19(23)22-12-8-20(9-13-22)6-10-21-11-7-20/h4-5,14-15,21H,6-13H2,1-3H3
InChIKeyLOIARTFVYVIRRE-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.09
Rot. Bonds4

About 3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone

3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone (PubChem CID 119047693) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone
PubChem CID119047693
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC3(CCNCC3)CC2)ccc1OC(C)C
InChIInChI=1S/C20H30N2O3/c1-15(2)25-17-5-4-16(14-18(17)24-3)19(23)22-12-8-20(9-13-22)6-10-21-11-7-20/h4-5,14-15,21H,6-13H2,1-3H3
InChIKeyLOIARTFVYVIRRE-UHFFFAOYSA-N
XLogP3.09
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,5S)-3-(3-methoxy-4-propan-2-yloxybenzoyl)-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135093933
(3-methoxy-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone
CID 59053851
(5-fluoro-1-propan-2-yloxyspiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-1'-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 130371086
6-fluoro-1'-(3-methoxy-4-propan-2-yloxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 130364196
(3-methoxy-4-propan-2-yloxyphenyl)-[(3S)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
CID 159384303
(3-methoxy-4-propan-2-yloxyphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2103456
(3-methoxy-4-propan-2-yloxyphenyl)-[4-methyl-4-[1-[2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrrol-2-yl]piperidin-1-yl]methanone
CID 162544223
[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 59054102
[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 59053907
(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
CID 39260978
(4-amino-3-methoxyphenyl)-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 118286378
(4-benzyl-1,4-diazepan-1-yl)-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 51279436

Frequently Asked Questions

What is the IUPAC name of 3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone?
The IUPAC name of 3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone (CID 119047693) is 3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for 3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for 3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone is COc1cc(C(=O)N2CCC3(CCNCC3)CC2)ccc1OC(C)C.
What is the InChIKey of 3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone?
The InChIKey is LOIARTFVYVIRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(2)25-17-5-4-16(14-18(17)24-3)19(23)22-12-8-20(9-13-22)6-10-21-11-7-20/h4-5,14-15,21H,6-13H2,1-3H3.
What are the key properties of 3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone?
3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone has a molecular weight of 346.47 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 119047693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).