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

C18H25N3O2 — CID 97491916

IUPAC[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC2(CC1)COCCN2CC1CC1
InChIInChI=1S/C18H25N3O2/c22-17(16-3-1-2-8-19-16)20-9-6-18(7-10-20)14-23-12-11-21(18)13-15-4-5-15/h1-3,8,15H,4-7,9-14H2
InChIKeyQGBWDJQFIXSNCD-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.80
Rot. Bonds3

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

[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone (PubChem CID 97491916) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
PubChem CID97491916
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC2(CC1)COCCN2CC1CC1
InChIInChI=1S/C18H25N3O2/c22-17(16-3-1-2-8-19-16)20-9-6-18(7-10-20)14-23-12-11-21(18)13-15-4-5-15/h1-3,8,15H,4-7,9-14H2
InChIKeyQGBWDJQFIXSNCD-UHFFFAOYSA-N
XLogP1.80
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone?
The IUPAC name of [1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone (CID 97491916) is [1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC2(CC1)COCCN2CC1CC1.
What is the InChIKey of [1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone?
The InChIKey is QGBWDJQFIXSNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17(16-3-1-2-8-19-16)20-9-6-18(7-10-20)14-23-12-11-21(18)13-15-4-5-15/h1-3,8,15H,4-7,9-14H2.
What are the key properties of [1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone?
[1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone has a molecular weight of 315.42 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 97491916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).