N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

C18H31N5O2 — CID 56885487

IUPACN,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)N(C)Cc1noc(C)n1
InChIInChI=1S/C18H31N5O2/c1-5-8-23-13-18(6-9-21(3)10-7-18)11-15(23)17(24)22(4)12-16-19-14(2)25-20-16/h15H,5-13H2,1-4H3
InChIKeyYVKRHTIGEPDLDK-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.53
Rot. Bonds5

About N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56885487) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56885487
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC NameN,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)N(C)Cc1noc(C)n1
InChIInChI=1S/C18H31N5O2/c1-5-8-23-13-18(6-9-21(3)10-7-18)11-15(23)17(24)22(4)12-16-19-14(2)25-20-16/h15H,5-13H2,1-4H3
InChIKeyYVKRHTIGEPDLDK-UHFFFAOYSA-N
XLogP1.53
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N,8-dimethyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95870218
(3S)-8-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95874847
(3R)-8-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95874846
N,8-dimethyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56894308
(3R)-N,8-dimethyl-2-propyl-N-(pyrimidin-4-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95882466
8-(5-methyl-1,2,4-oxadiazol-3-yl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56909362
(3R)-N,8-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95870272
(3R)-8-methyl-N-[(1-methylimidazol-2-yl)methyl]-N,2-dipropyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95868561
(3R)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95877248
(3R)-8-[(2-methyl-1,3-oxazol-4-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95883048
(3R)-8-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95874939
(3S)-8-[(6-methyl-2-pyridinyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95897636

Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56885487) is N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)CC1C(=O)N(C)Cc1noc(C)n1.
What is the InChIKey of N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is YVKRHTIGEPDLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-5-8-23-13-18(6-9-21(3)10-7-18)11-15(23)17(24)22(4)12-16-19-14(2)25-20-16/h15H,5-13H2,1-4H3.
What are the key properties of N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide?
N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56885487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).