tert-butyl (3S)-3-[4-[methyl(propan-2-yl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

C18H30N4O3 — CID 124842482

IUPACtert-butyl (3S)-3-[4-[methyl(propan-2-yl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)N(C)C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H30N4O3/c1-12(2)21(6)16(23)14-10-19-20-15(14)13-8-7-9-22(11-13)17(24)25-18(3,4)5/h10,12-13H,7-9,11H2,1-6H3,(H,19,20)/t13-/m0/s1
InChIKeyCFRNLZXDYSANIP-ZDUSSCGKSA-N
MW350.46 g/mol
LogP3.00
Rot. Bonds3

About tert-butyl (3S)-3-[4-[methyl(propan-2-yl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

tert-butyl (3S)-3-[4-[methyl(propan-2-yl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate (PubChem CID 124842482) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is tert-butyl (3S)-3-[4-[methyl(propan-2-yl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[4-[methyl(propan-2-yl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate
PubChem CID124842482
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Nametert-butyl (3S)-3-[4-[methyl(propan-2-yl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)N(C)C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H30N4O3/c1-12(2)21(6)16(23)14-10-19-20-15(14)13-8-7-9-22(11-13)17(24)25-18(3,4)5/h10,12-13H,7-9,11H2,1-6H3,(H,19,20)/t13-/m0/s1
InChIKeyCFRNLZXDYSANIP-ZDUSSCGKSA-N
XLogP3.00
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3S)-3-[4-[methyl(propan-2-yl)carbamoyl]-1H-pyrazol-5-yl]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 3-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 57080110
tert-butyl (3S)-3-(2H-triazol-4-yl)azepane-1-carboxylate
CID 155904354
tert-butyl (3R)-3-[4-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 125002381
tert-butyl 3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 75443723
5-[(3R)-1-(3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 129324033
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
N-benzyl-5-[(3R)-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 124961073
tert-butyl 3-(6-methoxy-3-pyridinyl)piperidine-1-carboxylate
CID 163238292
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 3-(6-aminopyridazin-3-yl)piperidine-1-carboxylate
CID 172992144
N-benzyl-N-methyl-5-[(3R)-1-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 124965902
tert-butyl (3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 124508791

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[4-[methyl(propan-2-yl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[4-[methyl(propan-2-yl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate (CID 124842482) is tert-butyl (3S)-3-[4-[methyl(propan-2-yl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[4-[methyl(propan-2-yl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[4-[methyl(propan-2-yl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate is CC(C)N(C)C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3S)-3-[4-[methyl(propan-2-yl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate?
The InChIKey is CFRNLZXDYSANIP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-12(2)21(6)16(23)14-10-19-20-15(14)13-8-7-9-22(11-13)17(24)25-18(3,4)5/h10,12-13H,7-9,11H2,1-6H3,(H,19,20)/t13-/m0/s1.
What are the key properties of tert-butyl (3S)-3-[4-[methyl(propan-2-yl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate?
tert-butyl (3S)-3-[4-[methyl(propan-2-yl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate has a molecular weight of 350.46 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[4-[methyl(propan-2-yl)carbamoyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 124842482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).