[(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone

C14H23N5O2 — CID 163305989

IUPAC[(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESCN1CC[C@@H](O)[C@H](C(=O)N2CCC(n3cnnc3)CC2)C1
InChIInChI=1S/C14H23N5O2/c1-17-5-4-13(20)12(8-17)14(21)18-6-2-11(3-7-18)19-9-15-16-10-19/h9-13,20H,2-8H2,1H3/t12-,13-/m1/s1
InChIKeyIDEQNSNLSJNUAU-CHWSQXEVSA-N
MW293.37 g/mol
LogP-0.25
Rot. Bonds2

About [(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone

[(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone (PubChem CID 163305989) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
PubChem CID163305989
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name[(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESCN1CC[C@@H](O)[C@H](C(=O)N2CCC(n3cnnc3)CC2)C1
InChIInChI=1S/C14H23N5O2/c1-17-5-4-13(20)12(8-17)14(21)18-6-2-11(3-7-18)19-9-15-16-10-19/h9-13,20H,2-8H2,1H3/t12-,13-/m1/s1
InChIKeyIDEQNSNLSJNUAU-CHWSQXEVSA-N
XLogP-0.25
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone;hydrochloride
CID 163334956
[(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 163311834
methyl 4-[4-[(3R,4R)-4-hydroxy-1-methylpiperidine-3-carbonyl]piperazin-1-yl]benzoate
CID 157014897
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]methanone
CID 163317201
(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]methanone
CID 163317725
methyl (3S,4S)-4-hydroxy-1-methylpiperidine-3-carboxylate
CID 21150450
(5-methylpyrazin-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 86284339
(2-methoxypyrimidin-5-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 119059010
(4-chloro-1,3-dimethylpyrazol-5-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 119064301
[(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 155493050
(4R)-3-(hydroxymethyl)-1-methylpiperidin-4-ol
CID 142983672
methyl 9-hydroxy-3-[(3R,4S)-4-hydroxy-1-methylpiperidine-3-carbonyl]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 166614796

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of [(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone (CID 163305989) is [(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone is CN1CC[C@@H](O)[C@H](C(=O)N2CCC(n3cnnc3)CC2)C1.
What is the InChIKey of [(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is IDEQNSNLSJNUAU-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-17-5-4-13(20)12(8-17)14(21)18-6-2-11(3-7-18)19-9-15-16-10-19/h9-13,20H,2-8H2,1H3/t12-,13-/m1/s1.
What are the key properties of [(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
[(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 293.37 g/mol, XLogP of -0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 163305989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).