4-[2-methyl-1-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-2-yl]morpholine

C16H29N5O — CID 99999435

IUPAC4-[2-methyl-1-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-2-yl]morpholine
SMILESCc1nc([C@@H]2CCCN(CC(C)(C)N3CCOCC3)C2)n[nH]1
InChIInChI=1S/C16H29N5O/c1-13-17-15(19-18-13)14-5-4-6-20(11-14)12-16(2,3)21-7-9-22-10-8-21/h14H,4-12H2,1-3H3,(H,17,18,19)/t14-/m1/s1
InChIKeyZPNVAFNYXZNICB-CQSZACIVSA-N
MW307.44 g/mol
LogP1.40
Rot. Bonds4

About 4-[2-methyl-1-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-2-yl]morpholine

4-[2-methyl-1-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-2-yl]morpholine (PubChem CID 99999435) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-[2-methyl-1-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-1-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-2-yl]morpholine
PubChem CID99999435
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name4-[2-methyl-1-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-2-yl]morpholine
SMILESCc1nc([C@@H]2CCCN(CC(C)(C)N3CCOCC3)C2)n[nH]1
InChIInChI=1S/C16H29N5O/c1-13-17-15(19-18-13)14-5-4-6-20(11-14)12-16(2,3)21-7-9-22-10-8-21/h14H,4-12H2,1-3H3,(H,17,18,19)/t14-/m1/s1
InChIKeyZPNVAFNYXZNICB-CQSZACIVSA-N
XLogP1.40
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-methyl-1-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-2-yl]morpholine 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 4-[2-methyl-1-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-2-yl]morpholine?
The IUPAC name of 4-[2-methyl-1-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-2-yl]morpholine (CID 99999435) is 4-[2-methyl-1-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-2-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-1-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-2-yl]morpholine?
The canonical SMILES for 4-[2-methyl-1-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-2-yl]morpholine is Cc1nc([C@@H]2CCCN(CC(C)(C)N3CCOCC3)C2)n[nH]1.
What is the InChIKey of 4-[2-methyl-1-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-2-yl]morpholine?
The InChIKey is ZPNVAFNYXZNICB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H29N5O/c1-13-17-15(19-18-13)14-5-4-6-20(11-14)12-16(2,3)21-7-9-22-10-8-21/h14H,4-12H2,1-3H3,(H,17,18,19)/t14-/m1/s1.
What are the key properties of 4-[2-methyl-1-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-2-yl]morpholine?
4-[2-methyl-1-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-2-yl]morpholine has a molecular weight of 307.44 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-1-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propan-2-yl]morpholine is sourced from PubChem (CID 99999435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).