3-[[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide

C18H27N5O3 — CID 70742798

IUPAC3-[[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(CN2CCC3(CCC(=O)N(CC4CC4)C3)CC2)no1
InChIInChI=1S/C18H27N5O3/c1-19-16(25)17-20-14(21-26-17)11-22-8-6-18(7-9-22)5-4-15(24)23(12-18)10-13-2-3-13/h13H,2-12H2,1H3,(H,19,25)
InChIKeyHAEDHZZNXTWMQC-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.04
Rot. Bonds5

About 3-[[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide

3-[[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 70742798) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-[[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID70742798
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name3-[[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(CN2CCC3(CCC(=O)N(CC4CC4)C3)CC2)no1
InChIInChI=1S/C18H27N5O3/c1-19-16(25)17-20-14(21-26-17)11-22-8-6-18(7-9-22)5-4-15(24)23(12-18)10-13-2-3-13/h13H,2-12H2,1H3,(H,19,25)
InChIKeyHAEDHZZNXTWMQC-UHFFFAOYSA-N
XLogP1.04
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70723642
2-(3-hydroxypropyl)-9-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70747765
2-(cyclopropylmethyl)-9-[(3,5-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70779908
2-(cyclopropylmethyl)-9-[(2,4,5-trifluorophenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70786326
2-(2-methoxyethyl)-9-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70727906
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
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
2-(cyclopropylmethyl)-9-(4-methylpyrimidine-5-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72859362
2-(cyclopropylmethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 124816533
2-(cyclopropylmethyl)-9-(4-hydroxybenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72878667
2-[[(2R)-oxolan-2-yl]methyl]-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97198032

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide (CID 70742798) is 3-[[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide is CNC(=O)c1nc(CN2CCC3(CCC(=O)N(CC4CC4)C3)CC2)no1.
What is the InChIKey of 3-[[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is HAEDHZZNXTWMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-19-16(25)17-20-14(21-26-17)11-22-8-6-18(7-9-22)5-4-15(24)23(12-18)10-13-2-3-13/h13H,2-12H2,1H3,(H,19,25).
What are the key properties of 3-[[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
3-[[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(cyclopropylmethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 70742798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).