(3R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine

C16H26N4O — CID 124626750

IUPAC(3R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
SMILESCc1nc(C)n(C[C@@H]2CCCN(C[C@@H]3CCC=CO3)C2)n1
InChIInChI=1S/C16H26N4O/c1-13-17-14(2)20(18-13)11-15-6-5-8-19(10-15)12-16-7-3-4-9-21-16/h4,9,15-16H,3,5-8,10-12H2,1-2H3/t15-,16+/m1/s1
InChIKeyJWGXDPPHFUYYRC-CVEARBPZSA-N
MW290.41 g/mol
LogP2.30
Rot. Bonds4

About (3R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine

(3R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine (PubChem CID 124626750) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (3R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name(3R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
PubChem CID124626750
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(3R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine
SMILESCc1nc(C)n(C[C@@H]2CCCN(C[C@@H]3CCC=CO3)C2)n1
InChIInChI=1S/C16H26N4O/c1-13-17-14(2)20(18-13)11-15-6-5-8-19(10-15)12-16-7-3-4-9-21-16/h4,9,15-16H,3,5-8,10-12H2,1-2H3/t15-,16+/m1/s1
InChIKeyJWGXDPPHFUYYRC-CVEARBPZSA-N
XLogP2.30
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine?
The IUPAC name of (3R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine (CID 124626750) is (3R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine.
What is the SMILES notation for (3R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine?
The canonical SMILES for (3R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine is Cc1nc(C)n(C[C@@H]2CCCN(C[C@@H]3CCC=CO3)C2)n1.
What is the InChIKey of (3R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine?
The InChIKey is JWGXDPPHFUYYRC-CVEARBPZSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13-17-14(2)20(18-13)11-15-6-5-8-19(10-15)12-16-7-3-4-9-21-16/h4,9,15-16H,3,5-8,10-12H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of (3R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine?
(3R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine has a molecular weight of 290.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidine is sourced from PubChem (CID 124626750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).