tert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate

C15H26N4O2 — CID 99831339

IUPACtert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate
SMILESCn1cc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cn1
InChIInChI=1S/C15H26N4O2/c1-15(2,3)21-14(20)17-13-6-5-7-19(11-13)10-12-8-16-18(4)9-12/h8-9,13H,5-7,10-11H2,1-4H3,(H,17,20)/t13-/m1/s1
InChIKeyLPJMBSMDLIIQAO-CYBMUJFWSA-N
MW294.40 g/mol
LogP1.91
Rot. Bonds3

About tert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate (PubChem CID 99831339) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate
PubChem CID99831339
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nametert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate
SMILESCn1cc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cn1
InChIInChI=1S/C15H26N4O2/c1-15(2,3)21-14(20)17-13-6-5-7-19(11-13)10-12-8-16-18(4)9-12/h8-9,13H,5-7,10-11H2,1-4H3,(H,17,20)/t13-/m1/s1
InChIKeyLPJMBSMDLIIQAO-CYBMUJFWSA-N
XLogP1.91
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate 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 tert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate (CID 99831339) is tert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate is Cn1cc(CN2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cn1.
What is the InChIKey of tert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate?
The InChIKey is LPJMBSMDLIIQAO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-15(2,3)21-14(20)17-13-6-5-7-19(11-13)10-12-8-16-18(4)9-12/h8-9,13H,5-7,10-11H2,1-4H3,(H,17,20)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate has a molecular weight of 294.40 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 99831339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).