[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

C16H25N5O — CID 100879654

IUPAC[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESCC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)C1(C)C
InChIInChI=1S/C16H25N5O/c1-10(2)8-12-13(16(12,3)4)15(22)21-7-5-6-11(9-21)14-17-19-20-18-14/h8,11-13H,5-7,9H2,1-4H3,(H,17,18,19,20)/t11-,12-,13-/m1/s1
InChIKeyOMTYEWHOQIZKRS-JHJVBQTASA-N
MW303.41 g/mol
LogP2.14
Rot. Bonds3

About [(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone

[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 100879654) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is [(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID100879654
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
SMILESCC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)C1(C)C
InChIInChI=1S/C16H25N5O/c1-10(2)8-12-13(16(12,3)4)15(22)21-7-5-6-11(9-21)14-17-19-20-18-14/h8,11-13H,5-7,9H2,1-4H3,(H,17,18,19,20)/t11-,12-,13-/m1/s1
InChIKeyOMTYEWHOQIZKRS-JHJVBQTASA-N
XLogP2.14
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone 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 [(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone (CID 100879654) is [(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)C1(C)C.
What is the InChIKey of [(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is OMTYEWHOQIZKRS-JHJVBQTASA-N. The full InChI is InChI=1S/C16H25N5O/c1-10(2)8-12-13(16(12,3)4)15(22)21-7-5-6-11(9-21)14-17-19-20-18-14/h8,11-13H,5-7,9H2,1-4H3,(H,17,18,19,20)/t11-,12-,13-/m1/s1.
What are the key properties of [(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone?
[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 303.41 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 100879654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).