3-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboxamide

C17H31N3O3 — CID 122138626

IUPAC3-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboxamide
SMILESCN(C)C1CCCN(C(=O)NCC2COC3(CCCCC3)O2)C1
InChIInChI=1S/C17H31N3O3/c1-19(2)14-7-6-10-20(12-14)16(21)18-11-15-13-22-17(23-15)8-4-3-5-9-17/h14-15H,3-13H2,1-2H3,(H,18,21)
InChIKeyJBLCBLMKQKHJHO-UHFFFAOYSA-N
MW325.45 g/mol
LogP1.80
Rot. Bonds3

About 3-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboxamide

3-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboxamide (PubChem CID 122138626) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboxamide
PubChem CID122138626
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name3-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboxamide
SMILESCN(C)C1CCCN(C(=O)NCC2COC3(CCCCC3)O2)C1
InChIInChI=1S/C17H31N3O3/c1-19(2)14-7-6-10-20(12-14)16(21)18-11-15-13-22-17(23-15)8-4-3-5-9-17/h14-15H,3-13H2,1-2H3,(H,18,21)
InChIKeyJBLCBLMKQKHJHO-UHFFFAOYSA-N
XLogP1.80
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-(dimethylamino)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine-1-carboxamide
CID 124615217
(3R)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 124615352
1-(1,4-dioxaspiro[4.4]nonan-3-ylmethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122008900
methyl (3S,4S)-1-(1,4-dioxaspiro[4.5]decan-3-ylmethylcarbamoyl)-4-methylpyrrolidine-3-carboxylate
CID 154755297
1-(1-cyclopropylethyl)-3-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-methylurea
CID 84598749
(2R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 124615214
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide
CID 18583865
2-[cyclopropyl(ethyl)amino]-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)acetamide
CID 84598754
N-[2-(dimethylamino)ethyl]-N'-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18583979
N-[2-(dimethylamino)ethyl]-N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide
CID 7646543
N'-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N-ethyloxamide
CID 7647063
N'-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-propyloxamide
CID 7645652

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboxamide (CID 122138626) is 3-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboxamide is CN(C)C1CCCN(C(=O)NCC2COC3(CCCCC3)O2)C1.
What is the InChIKey of 3-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboxamide?
The InChIKey is JBLCBLMKQKHJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-19(2)14-7-6-10-20(12-14)16(21)18-11-15-13-22-17(23-15)8-4-3-5-9-17/h14-15H,3-13H2,1-2H3,(H,18,21).
What are the key properties of 3-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboxamide?
3-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboxamide has a molecular weight of 325.45 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 122138626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).