azetidin-3-yl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

C18H30N6O2 — CID 70766809

IUPACazetidin-3-yl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCn1c(CN2CCC(O)CC2)nnc1C1CCCN(C(=O)C2CNC2)C1
InChIInChI=1S/C18H30N6O2/c1-22-16(12-23-7-4-15(25)5-8-23)20-21-17(22)13-3-2-6-24(11-13)18(26)14-9-19-10-14/h13-15,19,25H,2-12H2,1H3
InChIKeyLLENYEHJAGOWKU-UHFFFAOYSA-N
MW362.48 g/mol
LogP-0.30
Rot. Bonds4

About azetidin-3-yl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone

azetidin-3-yl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 70766809) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is azetidin-3-yl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameazetidin-3-yl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID70766809
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Nameazetidin-3-yl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCn1c(CN2CCC(O)CC2)nnc1C1CCCN(C(=O)C2CNC2)C1
InChIInChI=1S/C18H30N6O2/c1-22-16(12-23-7-4-15(25)5-8-23)20-21-17(22)13-3-2-6-24(11-13)18(26)14-9-19-10-14/h13-15,19,25H,2-12H2,1H3
InChIKeyLLENYEHJAGOWKU-UHFFFAOYSA-N
XLogP-0.30
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

1-{[5-(1-beta-alanyl-3-piperidinyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}-4-piperidinol dihydrochloride
CID 70722457
1-({5-[1-(cyclopropylacetyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)piperidin-4-ol
CID 70715452
2-(4-{5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}piperidin-1-yl)-N-methylacetamide
CID 70708764
1-({5-[1-(cyclopropylcarbonyl)piperidin-3-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)piperidin-4-ol
CID 70734371
3-{4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}-3-oxopropan-1-ol
CID 70741819
1-{[4-methyl-5-(1-propionylpiperidin-3-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-4-ol
CID 70775373
1-[(4-methyl-5-{1-[(methylthio)acetyl]piperidin-3-yl}-4H-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 70707528
N-ethyl-2-(3-{5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}piperidin-1-yl)acetamide
CID 70708063
2-(3-{5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}piperidin-1-yl)-N-methylacetamide
CID 70708434
3-(4-{5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}piperidin-1-yl)-N-methylpropanamide
CID 70709432
1-({5-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)piperidin-4-ol
CID 70709465
1-{[4-methyl-5-(1-propionylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-4-ol
CID 70717554

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of azetidin-3-yl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 70766809) is azetidin-3-yl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for azetidin-3-yl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for azetidin-3-yl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is Cn1c(CN2CCC(O)CC2)nnc1C1CCCN(C(=O)C2CNC2)C1.
What is the InChIKey of azetidin-3-yl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is LLENYEHJAGOWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-22-16(12-23-7-4-15(25)5-8-23)20-21-17(22)13-3-2-6-24(11-13)18(26)14-9-19-10-14/h13-15,19,25H,2-12H2,1H3.
What are the key properties of azetidin-3-yl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
azetidin-3-yl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 362.48 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-[3-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70766809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).