2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C16H24N4O2 — CID 70723642

IUPAC2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3ncon3)CC2)CN1CC1CC1
InChIInChI=1S/C16H24N4O2/c21-15-3-4-16(11-20(15)9-13-1-2-13)5-7-19(8-6-16)10-14-17-12-22-18-14/h12-13H,1-11H2
InChIKeyDGTMBQKLDPGVRF-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.68
Rot. Bonds4

About 2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70723642) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70723642
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3ncon3)CC2)CN1CC1CC1
InChIInChI=1S/C16H24N4O2/c21-15-3-4-16(11-20(15)9-13-1-2-13)5-7-19(8-6-16)10-14-17-12-22-18-14/h12-13H,1-11H2
InChIKeyDGTMBQKLDPGVRF-UHFFFAOYSA-N
XLogP1.68
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70748574
2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70730295
3-[[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 70742798
2-(cyclopropylmethyl)-9-[(2,4,5-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70786326
2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70779908
9-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97125710
2-(cyclopropylmethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 124816533
2-(cyclopropylmethyl)-9-[2-(4-hydroxyphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72923432
2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72878667
2-(cyclopropylmethyl)-9-(4-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72859362
9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72918023
2-(cyclopropylmethyl)-9-(2-phenylmethoxyacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72899248

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70723642) is 2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(Cc3ncon3)CC2)CN1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is DGTMBQKLDPGVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15-3-4-16(11-20(15)9-13-1-2-13)5-7-19(8-6-16)10-14-17-12-22-18-14/h12-13H,1-11H2.
What are the key properties of 2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 304.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70723642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).