2-(3-hydroxypropyl)-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

C16H26N4O3 — CID 70747765

IUPAC2-(3-hydroxypropyl)-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nc(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)no1
InChIInChI=1S/C16H26N4O3/c1-13-17-14(18-23-13)11-19-8-5-16(6-9-19)4-3-15(22)20(12-16)7-2-10-21/h21H,2-12H2,1H3
InChIKeyQACUILZNQOPJRR-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.97
Rot. Bonds5

About 2-(3-hydroxypropyl)-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

2-(3-hydroxypropyl)-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70747765) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(3-hydroxypropyl)-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-hydroxypropyl)-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70747765
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name2-(3-hydroxypropyl)-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nc(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)no1
InChIInChI=1S/C16H26N4O3/c1-13-17-14(18-23-13)11-19-8-5-16(6-9-19)4-3-15(22)20(12-16)7-2-10-21/h21H,2-12H2,1H3
InChIKeyQACUILZNQOPJRR-UHFFFAOYSA-N
XLogP0.97
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-hydroxypropyl)-9-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70751868
2-(3-hydroxypropyl)-9-(1H-imidazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70756706
2-(3-hydroxypropyl)-9-[(4-methylnaphthalen-1-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70747225
2-(3-hydroxypropyl)-9-[(2,3,4-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70757156
2-(2-methoxyethyl)-9-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70727906
9-[(2,3-difluorophenyl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70781347
4-[[2-(3-hydroxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]benzonitrile
CID 70782249
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-ethyl-9-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70761215
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-(3-methoxypropyl)-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70749883
2-(2-hydroxyethyl)-9-[(2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70760143

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropyl)-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-hydroxypropyl)-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one (CID 70747765) is 2-(3-hydroxypropyl)-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-hydroxypropyl)-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-hydroxypropyl)-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is Cc1nc(CN2CCC3(CCC(=O)N(CCCO)C3)CC2)no1.
What is the InChIKey of 2-(3-hydroxypropyl)-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is QACUILZNQOPJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-13-17-14(18-23-13)11-19-8-5-16(6-9-19)4-3-15(22)20(12-16)7-2-10-21/h21H,2-12H2,1H3.
What are the key properties of 2-(3-hydroxypropyl)-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one?
2-(3-hydroxypropyl)-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 322.41 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropyl)-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70747765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).