tert-butyl N-[[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate

C24H35N5O3 — CID 56519049

IUPACtert-butyl N-[[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
SMILESCc1cc(C)n(-c2cccc(NC(=O)N3CCCC(CN(C)C(=O)OC(C)(C)C)C3)c2)n1
InChIInChI=1S/C24H35N5O3/c1-17-13-18(2)29(26-17)21-11-7-10-20(14-21)25-22(30)28-12-8-9-19(16-28)15-27(6)23(31)32-24(3,4)5/h7,10-11,13-14,19H,8-9,12,15-16H2,1-6H3,(H,25,30)
InChIKeyBLWYPCSSZFPQCG-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.60
Rot. Bonds4

About tert-butyl N-[[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate

tert-butyl N-[[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate (PubChem CID 56519049) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is tert-butyl N-[[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
PubChem CID56519049
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC Nametert-butyl N-[[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
SMILESCc1cc(C)n(-c2cccc(NC(=O)N3CCCC(CN(C)C(=O)OC(C)(C)C)C3)c2)n1
InChIInChI=1S/C24H35N5O3/c1-17-13-18(2)29(26-17)21-11-7-10-20(14-21)25-22(30)28-12-8-9-19(16-28)15-27(6)23(31)32-24(3,4)5/h7,10-11,13-14,19H,8-9,12,15-16H2,1-6H3,(H,25,30)
InChIKeyBLWYPCSSZFPQCG-UHFFFAOYSA-N
XLogP4.60
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate 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-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 47045246
tert-butyl N-[[1-[(3,5-dimethoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 56520190
tert-butyl N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 51131983
tert-butyl N-methyl-N-[[1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidin-3-yl]methyl]carbamate
CID 47796203
tert-butyl N-[[1-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 56519816
tert-butyl N-[[(3R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 95786616
tert-butyl N-methyl-N-[[1-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]carbamate
CID 56519809
3-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
CID 47045244
tert-butyl N-methyl-N-[[1-[(2-propan-2-yloxyphenyl)carbamoyl]piperidin-3-yl]methyl]carbamate
CID 56520071
tert-butyl N-methyl-N-[[1-[[2-(trifluoromethoxy)phenyl]carbamoyl]piperidin-3-yl]methyl]carbamate
CID 56519300
tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate
CID 94806593
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(oxan-4-yl)piperazine-1-carboxamide
CID 126773025

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate (CID 56519049) is tert-butyl N-[[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate is Cc1cc(C)n(-c2cccc(NC(=O)N3CCCC(CN(C)C(=O)OC(C)(C)C)C3)c2)n1.
What is the InChIKey of tert-butyl N-[[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate?
The InChIKey is BLWYPCSSZFPQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-17-13-18(2)29(26-17)21-11-7-10-20(14-21)25-22(30)28-12-8-9-19(16-28)15-27(6)23(31)32-24(3,4)5/h7,10-11,13-14,19H,8-9,12,15-16H2,1-6H3,(H,25,30).
What are the key properties of tert-butyl N-[[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate has a molecular weight of 441.58 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 56519049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).