[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone

C15H26N6O2 — CID 124751513

IUPAC[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
SMILESCOCCN1CC[C@@H](C(=O)N2CCC(c3nc(N)n[nH]3)CC2)C1
InChIInChI=1S/C15H26N6O2/c1-23-9-8-20-5-2-12(10-20)14(22)21-6-3-11(4-7-21)13-17-15(16)19-18-13/h11-12H,2-10H2,1H3,(H3,16,17,18,19)/t12-/m1/s1
InChIKeyGUKLQOPGGKFRHQ-GFCCVEGCSA-N
MW322.41 g/mol
LogP0.06
Rot. Bonds5

About [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone

[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone (PubChem CID 124751513) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
PubChem CID124751513
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
SMILESCOCCN1CC[C@@H](C(=O)N2CCC(c3nc(N)n[nH]3)CC2)C1
InChIInChI=1S/C15H26N6O2/c1-23-9-8-20-5-2-12(10-20)14(22)21-6-3-11(4-7-21)13-17-15(16)19-18-13/h11-12H,2-10H2,1H3,(H3,16,17,18,19)/t12-/m1/s1
InChIKeyGUKLQOPGGKFRHQ-GFCCVEGCSA-N
XLogP0.06
TPSA100.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-methoxyethyl)pyrrolidin-3-yl]-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162638166
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 97275791
[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 95121753
(3-aminopyrrolidin-1-yl)-[1-(2-methoxyethyl)piperidin-4-yl]methanone;dihydrochloride
CID 154907860
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 74236646
(4R)-4-[4-(2-methoxyethyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 94092850
2-fluoro-N-[[1-[1-(2-methoxyethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]methyl]benzamide
CID 131936819
(1S,5R)-3-[(3S)-1-(2-methoxyethyl)piperidine-3-carbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 126423113
[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone
CID 163257255
3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 171153397
1-[4-[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]ethanone
CID 118792324
2-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole
CID 125006103

Frequently Asked Questions

What is the IUPAC name of [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone (CID 124751513) is [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone is COCCN1CC[C@@H](C(=O)N2CCC(c3nc(N)n[nH]3)CC2)C1.
What is the InChIKey of [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone?
The InChIKey is GUKLQOPGGKFRHQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-23-9-8-20-5-2-12(10-20)14(22)21-6-3-11(4-7-21)13-17-15(16)19-18-13/h11-12H,2-10H2,1H3,(H3,16,17,18,19)/t12-/m1/s1.
What are the key properties of [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone?
[4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone has a molecular weight of 322.41 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-amino-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 124751513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).