1-(cyclopropylmethyl)-9-[(4-methoxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane

C20H30N2O2 — CID 97372202

IUPAC1-(cyclopropylmethyl)-9-[(4-methoxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCOc1ccc(CN2CCC3(CC2)COCCN3CC2CC2)cc1
InChIInChI=1S/C20H30N2O2/c1-23-19-6-4-17(5-7-19)14-21-10-8-20(9-11-21)16-24-13-12-22(20)15-18-2-3-18/h4-7,18H,2-3,8-16H2,1H3
InChIKeyRTBGGFAFXQXYCZ-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.77
Rot. Bonds5

About 1-(cyclopropylmethyl)-9-[(4-methoxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane

1-(cyclopropylmethyl)-9-[(4-methoxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97372202) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-9-[(4-methoxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-9-[(4-methoxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97372202
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-(cyclopropylmethyl)-9-[(4-methoxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCOc1ccc(CN2CCC3(CC2)COCCN3CC2CC2)cc1
InChIInChI=1S/C20H30N2O2/c1-23-19-6-4-17(5-7-19)14-21-10-8-20(9-11-21)16-24-13-12-22(20)15-18-2-3-18/h4-7,18H,2-3,8-16H2,1H3
InChIKeyRTBGGFAFXQXYCZ-UHFFFAOYSA-N
XLogP2.77
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-methyloxolane-3-carboxamide
CID 154738097
1-(cyclopropylmethyl)-9-(4-fluorophenyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396296
1-(cyclohexylmethyl)-9-[(4-methoxyphenyl)methyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 131681505
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
(4R,5R)-2-(cyclopropylmethyl)-4-(methoxymethyl)-7-[(4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 97483543
8-[(4-methoxyphenyl)methyl]-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131639696
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanamine
CID 15044920
2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanol
CID 10562587
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
(5R)-10-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385034
(3S,5S)-3-(imidazol-1-ylmethyl)-7-[(4-methoxyphenyl)methyl]-1,10-dioxa-7-azaspiro[4.6]undecane
CID 98814780

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-9-[(4-methoxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-(cyclopropylmethyl)-9-[(4-methoxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97372202) is 1-(cyclopropylmethyl)-9-[(4-methoxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(cyclopropylmethyl)-9-[(4-methoxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(cyclopropylmethyl)-9-[(4-methoxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane is COc1ccc(CN2CCC3(CC2)COCCN3CC2CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-9-[(4-methoxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is RTBGGFAFXQXYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-23-19-6-4-17(5-7-19)14-21-10-8-20(9-11-21)16-24-13-12-22(20)15-18-2-3-18/h4-7,18H,2-3,8-16H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-9-[(4-methoxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
1-(cyclopropylmethyl)-9-[(4-methoxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 330.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-9-[(4-methoxyphenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97372202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).