tert-butyl N-[[(3R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate

C20H36N6O3 — CID 95786616

IUPACtert-butyl N-[[(3R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
SMILESCN(C)CCn1cc(NC(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cn1
InChIInChI=1S/C20H36N6O3/c1-20(2,3)29-19(28)24(6)13-16-8-7-9-25(14-16)18(27)22-17-12-21-26(15-17)11-10-23(4)5/h12,15-16H,7-11,13-14H2,1-6H3,(H,22,27)/t16-/m0/s1
InChIKeyYEHVYDVTOMJORM-INIZCTEOSA-N
MW408.55 g/mol
LogP2.56
Rot. Bonds6

About tert-butyl N-[[(3R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate

tert-butyl N-[[(3R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate (PubChem CID 95786616) has the molecular formula C20H36N6O3 and a molecular weight of 408.55 g/mol. Its IUPAC name is tert-butyl N-[[(3R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
PubChem CID95786616
Molecular FormulaC20H36N6O3
Molecular Weight408.55 g/mol
Exact Mass408.28
IUPAC Nametert-butyl N-[[(3R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
SMILESCN(C)CCn1cc(NC(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cn1
InChIInChI=1S/C20H36N6O3/c1-20(2,3)29-19(28)24(6)13-16-8-7-9-25(14-16)18(27)22-17-12-21-26(15-17)11-10-23(4)5/h12,15-16H,7-11,13-14H2,1-6H3,(H,22,27)/t16-/m0/s1
InChIKeyYEHVYDVTOMJORM-INIZCTEOSA-N
XLogP2.56
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[(3R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]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 N-[[1-[(3,5-dimethoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 56520190
tert-butyl N-methyl-N-[[1-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]carbamate
CID 56519809
tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 66566198
tert-butyl N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 51131983
tert-butyl N-[[1-[[4-(difluoromethoxy)-3-fluorophenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 56519816
tert-butyl N-[[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 56519049
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
tert-butyl N-methyl-N-[[(3R)-1-(5-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]carbamate
CID 94831472
2-[4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 61408275
(3R)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 122505076

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[(3R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate (CID 95786616) is tert-butyl N-[[(3R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[(3R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[(3R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate is CN(C)CCn1cc(NC(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)cn1.
What is the InChIKey of tert-butyl N-[[(3R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate?
The InChIKey is YEHVYDVTOMJORM-INIZCTEOSA-N. The full InChI is InChI=1S/C20H36N6O3/c1-20(2,3)29-19(28)24(6)13-16-8-7-9-25(14-16)18(27)22-17-12-21-26(15-17)11-10-23(4)5/h12,15-16H,7-11,13-14H2,1-6H3,(H,22,27)/t16-/m0/s1.
What are the key properties of tert-butyl N-[[(3R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[(3R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate has a molecular weight of 408.55 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3R)-1-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 95786616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).