(2R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

C17H27N5O3 — CID 124615214

IUPAC(2R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCn1cnnc1[C@H]1CCCN1C(=O)NC[C@@H]1COC2(CCCCC2)O1
InChIInChI=1S/C17H27N5O3/c1-21-12-19-20-15(21)14-6-5-9-22(14)16(23)18-10-13-11-24-17(25-13)7-3-2-4-8-17/h12-14H,2-11H2,1H3,(H,18,23)/t13-,14-/m1/s1
InChIKeyJLEUYBPULYMDIT-ZIAGYGMSSA-N
MW349.44 g/mol
LogP1.74
Rot. Bonds3

About (2R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide

(2R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 124615214) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is (2R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID124615214
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name(2R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
SMILESCn1cnnc1[C@H]1CCCN1C(=O)NC[C@@H]1COC2(CCCCC2)O1
InChIInChI=1S/C17H27N5O3/c1-21-12-19-20-15(21)14-6-5-9-22(14)16(23)18-10-13-11-24-17(25-13)7-3-2-4-8-17/h12-14H,2-11H2,1H3,(H,18,23)/t13-,14-/m1/s1
InChIKeyJLEUYBPULYMDIT-ZIAGYGMSSA-N
XLogP1.74
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-(dimethylamino)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine-1-carboxamide
CID 124615217
(2S)-N-[(2S)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 124735946
(2R)-N-[(2R)-2-methoxy-3-methylbutyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 124735945
(3R)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 124615352
N,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 136519378
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 97252849
(2R)-N-[(3-methyl-4-methylsulfanylphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 97252865
N-(1,4-dioxaspiro[4.6]undecan-3-ylmethyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 75446903
N-[2-(2,3-difluorophenyl)ethyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 146085568
N-[(3-methoxyphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 87052104
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide
CID 18583865
1-(1,4-dioxaspiro[4.4]nonan-3-ylmethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122008900

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (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) is (2R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is Cn1cnnc1[C@H]1CCCN1C(=O)NC[C@@H]1COC2(CCCCC2)O1.
What is the InChIKey of (2R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is JLEUYBPULYMDIT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-21-12-19-20-15(21)14-6-5-9-22(14)16(23)18-10-13-11-24-17(25-13)7-3-2-4-8-17/h12-14H,2-11H2,1H3,(H,18,23)/t13-,14-/m1/s1.
What are the key properties of (2R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide?
(2R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124615214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).