tert-butyl N-[1-[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoyl]piperidin-3-yl]carbamate

C20H28N6O3 — CID 55909963

IUPACtert-butyl N-[1-[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoyl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(C(=O)NCc2ccnc(-n3cccn3)c2)C1
InChIInChI=1S/C20H28N6O3/c1-20(2,3)29-19(28)24-16-6-4-10-25(14-16)18(27)22-13-15-7-9-21-17(12-15)26-11-5-8-23-26/h5,7-9,11-12,16H,4,6,10,13-14H2,1-3H3,(H,22,27)(H,24,28)
InChIKeyXLZIIMJXSVTHSU-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.47
Rot. Bonds4

About tert-butyl N-[1-[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoyl]piperidin-3-yl]carbamate

tert-butyl N-[1-[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoyl]piperidin-3-yl]carbamate (PubChem CID 55909963) has the molecular formula C20H28N6O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoyl]piperidin-3-yl]carbamate
PubChem CID55909963
Molecular FormulaC20H28N6O3
Molecular Weight400.48 g/mol
Exact Mass400.22
IUPAC Nametert-butyl N-[1-[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoyl]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(C(=O)NCc2ccnc(-n3cccn3)c2)C1
InChIInChI=1S/C20H28N6O3/c1-20(2,3)29-19(28)24-16-6-4-10-25(14-16)18(27)22-13-15-7-9-21-17(12-15)26-11-5-8-23-26/h5,7-9,11-12,16H,4,6,10,13-14H2,1-3H3,(H,22,27)(H,24,28)
InChIKeyXLZIIMJXSVTHSU-UHFFFAOYSA-N
XLogP2.47
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoyl]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

Related Compounds

(3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 94030798
tert-butyl N-[1-[(3,4-dimethoxyphenyl)methylcarbamoyl]piperidin-3-yl]carbamate
CID 55911105
tert-butyl N-[1-[N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-N'-methylcarbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111994140
tert-butyl N-[1-[(4-cyanophenyl)methylcarbamoyl]piperidin-3-yl]carbamate
CID 51122186
4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 87004175
tert-butyl N-[(3S)-1-(prop-2-ynylcarbamoyl)piperidin-3-yl]carbamate
CID 94193162
tert-butyl N-[(3R)-1-(2-methylpropylcarbamoyl)piperidin-3-yl]carbamate
CID 94648216
1-cyclopentyl-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 110989663
tert-butyl N-[1-[N'-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111730045
tert-butyl N-[1-[N'-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]carbamimidoyl]pyrrolidin-3-yl]carbamate;hydroiodide
CID 111730044
N-[4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]cyclohexyl]acetamide
CID 86801992
tert-butyl N-[1-(4-amino-2-pyridinyl)piperidin-3-yl]carbamate
CID 91811841

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoyl]piperidin-3-yl]carbamate (CID 55909963) is tert-butyl N-[1-[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoyl]piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCCN(C(=O)NCc2ccnc(-n3cccn3)c2)C1.
What is the InChIKey of tert-butyl N-[1-[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoyl]piperidin-3-yl]carbamate?
The InChIKey is XLZIIMJXSVTHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O3/c1-20(2,3)29-19(28)24-16-6-4-10-25(14-16)18(27)22-13-15-7-9-21-17(12-15)26-11-5-8-23-26/h5,7-9,11-12,16H,4,6,10,13-14H2,1-3H3,(H,22,27)(H,24,28).
What are the key properties of tert-butyl N-[1-[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoyl]piperidin-3-yl]carbamate?
tert-butyl N-[1-[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoyl]piperidin-3-yl]carbamate has a molecular weight of 400.48 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2-pyrazol-1-yl-4-pyridinyl)methylcarbamoyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 55909963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).