4-(cyclopropylmethyl)-9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C18H25N3O2 — CID 97384693

IUPAC4-(cyclopropylmethyl)-9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(Cc3ccncc3)CC2)CN1CC1CC1
InChIInChI=1S/C18H25N3O2/c22-17-13-23-18(14-21(17)12-15-1-2-15)5-9-20(10-6-18)11-16-3-7-19-8-4-16/h3-4,7-8,15H,1-2,5-6,9-14H2
InChIKeyNUPCNUSIAQSICJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.68
Rot. Bonds4

About 4-(cyclopropylmethyl)-9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-(cyclopropylmethyl)-9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97384693) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97384693
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name4-(cyclopropylmethyl)-9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(Cc3ccncc3)CC2)CN1CC1CC1
InChIInChI=1S/C18H25N3O2/c22-17-13-23-18(14-21(17)12-15-1-2-15)5-9-20(10-6-18)11-16-3-7-19-8-4-16/h3-4,7-8,15H,1-2,5-6,9-14H2
InChIKeyNUPCNUSIAQSICJ-UHFFFAOYSA-N
XLogP1.68
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(cyclopropylmethyl)-9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97384693) is 4-(cyclopropylmethyl)-9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(cyclopropylmethyl)-9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(Cc3ccncc3)CC2)CN1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is NUPCNUSIAQSICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c22-17-13-23-18(14-21(17)12-15-1-2-15)5-9-20(10-6-18)11-16-3-7-19-8-4-16/h3-4,7-8,15H,1-2,5-6,9-14H2.
What are the key properties of 4-(cyclopropylmethyl)-9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(cyclopropylmethyl)-9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 315.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-9-(pyridin-4-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97384693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).