tert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate

C23H30N4O4 — CID 108548177

IUPACtert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C23H30N4O4/c1-23(2,3)31-22(30)24-16-20(28)25-18-10-14-27(15-11-18)21(29)17-6-8-19(9-7-17)26-12-4-5-13-26/h4-9,12-13,18H,10-11,14-16H2,1-3H3,(H,24,30)(H,25,28)
InChIKeyIMACAOAFIVUYDG-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.72
Rot. Bonds5

About tert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate

tert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate (PubChem CID 108548177) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate
PubChem CID108548177
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Nametert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C23H30N4O4/c1-23(2,3)31-22(30)24-16-20(28)25-18-10-14-27(15-11-18)21(29)17-6-8-19(9-7-17)26-12-4-5-13-26/h4-9,12-13,18H,10-11,14-16H2,1-3H3,(H,24,30)(H,25,28)
InChIKeyIMACAOAFIVUYDG-UHFFFAOYSA-N
XLogP2.72
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]benzamide
CID 108550446
tert-butyl N-[3-oxo-3-[4-[(4-pyrrol-1-ylbenzoyl)amino]piperidin-1-yl]propyl]carbamate
CID 108554769
tert-butyl N-[2-oxo-2-[[1-(2-sulfanylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 108548176
[3-[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108548117
4-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pentanamide
CID 108558077
tert-butyl N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108548132
2-phenyl-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]acetamide
CID 108551296
methyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-1-carboxylate
CID 108558897
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 108553254
1-tert-butyl-5-oxo-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 108552395
tert-butyl N-[2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108558901
tert-butyl N-[2-oxo-2-[[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methylamino]ethyl]carbamate
CID 108916563

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate (CID 108548177) is tert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1.
What is the InChIKey of tert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate?
The InChIKey is IMACAOAFIVUYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-23(2,3)31-22(30)24-16-20(28)25-18-10-14-27(15-11-18)21(29)17-6-8-19(9-7-17)26-12-4-5-13-26/h4-9,12-13,18H,10-11,14-16H2,1-3H3,(H,24,30)(H,25,28).
What are the key properties of tert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate?
tert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate has a molecular weight of 426.52 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-[[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate is sourced from PubChem (CID 108548177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).