4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperazine-1-carboxamide

C14H25N3O2 — CID 122276427

IUPAC4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC2CCC23CCOCC3)CC1
InChIInChI=1S/C14H25N3O2/c1-16-6-8-17(9-7-16)13(18)15-12-2-3-14(12)4-10-19-11-5-14/h12H,2-11H2,1H3,(H,15,18)
InChIKeyJDDZXXNOSWXPKC-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.90
Rot. Bonds1

About 4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperazine-1-carboxamide

4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperazine-1-carboxamide (PubChem CID 122276427) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperazine-1-carboxamide
PubChem CID122276427
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC2CCC23CCOCC3)CC1
InChIInChI=1S/C14H25N3O2/c1-16-6-8-17(9-7-16)13(18)15-12-2-3-14(12)4-10-19-11-5-14/h12H,2-11H2,1H3,(H,15,18)
InChIKeyJDDZXXNOSWXPKC-UHFFFAOYSA-N
XLogP0.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-hydroxy-3-methyl-N-[(4R)-8-oxaspiro[4.5]decan-4-yl]pyrrolidine-1-carboxamide
CID 129344708
(6R)-6-methyl-N-[(4S)-8-oxaspiro[4.5]decan-4-yl]-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 124875303
4-ethyl-N-(7-oxaspiro[3.5]nonan-3-yl)-2,3-dioxopiperazine-1-carboxamide
CID 122276478
N-(7-oxaspiro[3.5]nonan-3-yl)oxolane-2-carboxamide
CID 122276279
1-methylsulfonyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperidine-4-carboxamide
CID 122276202
N-[2-(hydroxymethyl)-2-methylcyclopentyl]morpholine-4-carboxamide
CID 75423116
N-(2,2-dimethylcyclohexyl)morpholine-4-carboxamide
CID 113255358
2,5-dimethyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazole-3-carboxamide
CID 122276388
1-(7-oxaspiro[3.5]nonan-3-yl)-3-(thiophen-2-ylmethyl)urea
CID 122276524
4-[[(4-methyl-1,4-diazepane-1-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115440266
methyl 4-(7-oxaspiro[3.5]nonan-3-ylcarbamoyl)benzoate
CID 122276170
5-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)pyrazine-2-carboxamide
CID 122276318

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperazine-1-carboxamide (CID 122276427) is 4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperazine-1-carboxamide is CN1CCN(C(=O)NC2CCC23CCOCC3)CC1.
What is the InChIKey of 4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperazine-1-carboxamide?
The InChIKey is JDDZXXNOSWXPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-16-6-8-17(9-7-16)13(18)15-12-2-3-14(12)4-10-19-11-5-14/h12H,2-11H2,1H3,(H,15,18).
What are the key properties of 4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperazine-1-carboxamide?
4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperazine-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(7-oxaspiro[3.5]nonan-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 122276427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).