tert-butyl N-[[1-(1-phenylpyrazole-4-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

C24H34N4O3 — CID 55826224

IUPACtert-butyl N-[[1-(1-phenylpyrazole-4-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CC1CCCN(C(=O)c2cnn(-c3ccccc3)c2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C24H34N4O3/c1-18(2)27(23(30)31-24(3,4)5)16-19-10-9-13-26(15-19)22(29)20-14-25-28(17-20)21-11-7-6-8-12-21/h6-8,11-12,14,17-19H,9-10,13,15-16H2,1-5H3
InChIKeyOWLHTXDEFVBVLB-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.37
Rot. Bonds5

About tert-butyl N-[[1-(1-phenylpyrazole-4-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

tert-butyl N-[[1-(1-phenylpyrazole-4-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (PubChem CID 55826224) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is tert-butyl N-[[1-(1-phenylpyrazole-4-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(1-phenylpyrazole-4-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
PubChem CID55826224
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Nametert-butyl N-[[1-(1-phenylpyrazole-4-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CC1CCCN(C(=O)c2cnn(-c3ccccc3)c2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C24H34N4O3/c1-18(2)27(23(30)31-24(3,4)5)16-19-10-9-13-26(15-19)22(29)20-14-25-28(17-20)21-11-7-6-8-12-21/h6-8,11-12,14,17-19H,9-10,13,15-16H2,1-5H3
InChIKeyOWLHTXDEFVBVLB-UHFFFAOYSA-N
XLogP4.37
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[1-(4-fluorobenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55826736
tert-butyl N-propan-2-yl-N-[[1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate
CID 55826786
tert-butyl N-[[1-(4-bromo-3,5-dimethoxybenzoyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55825835
tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate
CID 94806593
[3-(chloromethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 63396082
tert-butyl N-[[1-(4-chloro-1H-pyrrole-2-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55825194
tert-butyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 66566373
tert-butyl N-[[(3S)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 51963418
[1-(1-phenylpyrazole-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 119075063
tert-butyl N-[[1-[2-[(3-bromobenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55821411
tert-butyl N-[[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 55825250
azepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 60667576

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(1-phenylpyrazole-4-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[[1-(1-phenylpyrazole-4-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (CID 55826224) is tert-butyl N-[[1-(1-phenylpyrazole-4-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-(1-phenylpyrazole-4-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[[1-(1-phenylpyrazole-4-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is CC(C)N(CC1CCCN(C(=O)c2cnn(-c3ccccc3)c2)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[1-(1-phenylpyrazole-4-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The InChIKey is OWLHTXDEFVBVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-18(2)27(23(30)31-24(3,4)5)16-19-10-9-13-26(15-19)22(29)20-14-25-28(17-20)21-11-7-6-8-12-21/h6-8,11-12,14,17-19H,9-10,13,15-16H2,1-5H3.
What are the key properties of tert-butyl N-[[1-(1-phenylpyrazole-4-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
tert-butyl N-[[1-(1-phenylpyrazole-4-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate has a molecular weight of 426.56 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(1-phenylpyrazole-4-carbonyl)piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 55826224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).