1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-phenylethanone

C20H28N2O2 — CID 97409228

IUPAC1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC2(CC1)COCCN2CC1CC1
InChIInChI=1S/C20H28N2O2/c23-19(14-17-4-2-1-3-5-17)21-10-8-20(9-11-21)16-24-13-12-22(20)15-18-6-7-18/h1-5,18H,6-16H2
InChIKeyDCQOMABTWSXXIP-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.33
Rot. Bonds4

About 1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-phenylethanone

1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-phenylethanone (PubChem CID 97409228) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-phenylethanone
PubChem CID97409228
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCC2(CC1)COCCN2CC1CC1
InChIInChI=1S/C20H28N2O2/c23-19(14-17-4-2-1-3-5-17)21-10-8-20(9-11-21)16-24-13-12-22(20)15-18-6-7-18/h1-5,18H,6-16H2
InChIKeyDCQOMABTWSXXIP-UHFFFAOYSA-N
XLogP2.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-phenylethanone?
The IUPAC name of 1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-phenylethanone (CID 97409228) is 1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-phenylethanone.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-phenylethanone?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCC2(CC1)COCCN2CC1CC1.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-phenylethanone?
The InChIKey is DCQOMABTWSXXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-19(14-17-4-2-1-3-5-17)21-10-8-20(9-11-21)16-24-13-12-22(20)15-18-6-7-18/h1-5,18H,6-16H2.
What are the key properties of 1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-phenylethanone?
1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-phenylethanone has a molecular weight of 328.46 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-phenylethanone is sourced from PubChem (CID 97409228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).