tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate

C15H26N4O2 — CID 129400144

IUPACtert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
SMILESC[C@@H]1[C@@H](NCc2ccn[nH]2)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N4O2/c1-11-13(16-10-12-7-8-17-18-12)6-5-9-19(11)14(20)21-15(2,3)4/h7-8,11,13,16H,5-6,9-10H2,1-4H3,(H,17,18)/t11-,13+/m1/s1
InChIKeyLPRTZAJDWKZAAM-YPMHNXCESA-N
MW294.40 g/mol
LogP2.29
Rot. Bonds3

About tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate

tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate (PubChem CID 129400144) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
PubChem CID129400144
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nametert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
SMILESC[C@@H]1[C@@H](NCc2ccn[nH]2)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N4O2/c1-11-13(16-10-12-7-8-17-18-12)6-5-9-19(11)14(20)21-15(2,3)4/h7-8,11,13,16H,5-6,9-10H2,1-4H3,(H,17,18)/t11-,13+/m1/s1
InChIKeyLPRTZAJDWKZAAM-YPMHNXCESA-N
XLogP2.29
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate 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

tert-butyl 2-methyl-3-(1,3-thiazol-2-ylmethylamino)piperidine-1-carboxylate
CID 104954266
tert-butyl (2R)-2-(1H-pyrazol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 94809182
tert-butyl 2-(1H-pyrazol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51095422
tert-butyl 2-methyl-3-[(5-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
CID 104954209
tert-butyl 4-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate
CID 61285481
tert-butyl 3-(furan-3-ylmethylamino)-2-methylpiperidine-1-carboxylate
CID 104954244
tert-butyl 3-[(5-chlorothiophen-2-yl)methylamino]-2-methylpiperidine-1-carboxylate
CID 107256677
tert-butyl 2-methyl-3-[(3-methylthiophen-2-yl)methylamino]piperidine-1-carboxylate
CID 107256627
tert-butyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpiperidine-1-carboxylate
CID 104954264
tert-butyl (3S)-3-methoxy-4-(1H-pyrazol-5-ylmethylamino)pyrrolidine-1-carboxylate
CID 103845395
tert-butyl 3-(cyclopentylmethylamino)-2-methylpiperidine-1-carboxylate
CID 107256757
tert-butyl 3-(2-cyclohexylethylamino)-2-methylpiperidine-1-carboxylate
CID 107256759

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate (CID 129400144) is tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate is C[C@@H]1[C@@H](NCc2ccn[nH]2)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate?
The InChIKey is LPRTZAJDWKZAAM-YPMHNXCESA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11-13(16-10-12-7-8-17-18-12)6-5-9-19(11)14(20)21-15(2,3)4/h7-8,11,13,16H,5-6,9-10H2,1-4H3,(H,17,18)/t11-,13+/m1/s1.
What are the key properties of tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate?
tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S)-2-methyl-3-(1H-pyrazol-5-ylmethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 129400144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).