1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-2-[4-(hydroxymethyl)triazol-1-yl]ethanone

C17H24N6O2 — CID 95829584

IUPAC1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-2-[4-(hydroxymethyl)triazol-1-yl]ethanone
SMILESCN(C)c1cc([C@H]2CCCN(C(=O)Cn3cc(CO)nn3)C2)ccn1
InChIInChI=1S/C17H24N6O2/c1-21(2)16-8-13(5-6-18-16)14-4-3-7-22(9-14)17(25)11-23-10-15(12-24)19-20-23/h5-6,8,10,14,24H,3-4,7,9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyUQEGPJAXUDMPRQ-AWEZNQCLSA-N
MW344.42 g/mol
LogP0.64
Rot. Bonds5

About 1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-2-[4-(hydroxymethyl)triazol-1-yl]ethanone

1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-2-[4-(hydroxymethyl)triazol-1-yl]ethanone (PubChem CID 95829584) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-2-[4-(hydroxymethyl)triazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-2-[4-(hydroxymethyl)triazol-1-yl]ethanone
PubChem CID95829584
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-2-[4-(hydroxymethyl)triazol-1-yl]ethanone
SMILESCN(C)c1cc([C@H]2CCCN(C(=O)Cn3cc(CO)nn3)C2)ccn1
InChIInChI=1S/C17H24N6O2/c1-21(2)16-8-13(5-6-18-16)14-4-3-7-22(9-14)17(25)11-23-10-15(12-24)19-20-23/h5-6,8,10,14,24H,3-4,7,9,11-12H2,1-2H3/t14-/m0/s1
InChIKeyUQEGPJAXUDMPRQ-AWEZNQCLSA-N
XLogP0.64
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-2-[4-(hydroxymethyl)triazol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125005497
[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 124978147
[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 125027034
5-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 124972441
3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 125023343
1,3-benzodioxol-5-yl-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124955424
3-[3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 110105858
[3-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
CID 152513618
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 129352513
N,N-dimethyl-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 125008778
[3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 127246886
N,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine
CID 110105853

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-2-[4-(hydroxymethyl)triazol-1-yl]ethanone?
The IUPAC name of 1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-2-[4-(hydroxymethyl)triazol-1-yl]ethanone (CID 95829584) is 1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-2-[4-(hydroxymethyl)triazol-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-2-[4-(hydroxymethyl)triazol-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-2-[4-(hydroxymethyl)triazol-1-yl]ethanone is CN(C)c1cc([C@H]2CCCN(C(=O)Cn3cc(CO)nn3)C2)ccn1.
What is the InChIKey of 1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-2-[4-(hydroxymethyl)triazol-1-yl]ethanone?
The InChIKey is UQEGPJAXUDMPRQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-21(2)16-8-13(5-6-18-16)14-4-3-7-22(9-14)17(25)11-23-10-15(12-24)19-20-23/h5-6,8,10,14,24H,3-4,7,9,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-2-[4-(hydroxymethyl)triazol-1-yl]ethanone?
1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-2-[4-(hydroxymethyl)triazol-1-yl]ethanone has a molecular weight of 344.42 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-2-[4-(hydroxymethyl)triazol-1-yl]ethanone is sourced from PubChem (CID 95829584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).