tert-butyl N-[3-[4-[(4-ethoxybenzoyl)amino]piperidin-1-yl]-3-oxopropyl]carbamate

C22H33N3O5 — CID 108551832

IUPACtert-butyl N-[3-[4-[(4-ethoxybenzoyl)amino]piperidin-1-yl]-3-oxopropyl]carbamate
SMILESCCOc1ccc(C(=O)NC2CCN(C(=O)CCNC(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C22H33N3O5/c1-5-29-18-8-6-16(7-9-18)20(27)24-17-11-14-25(15-12-17)19(26)10-13-23-21(28)30-22(2,3)4/h6-9,17H,5,10-15H2,1-4H3,(H,23,28)(H,24,27)
InChIKeyZCUYDFNVCKBGGZ-UHFFFAOYSA-N
MW419.52 g/mol
LogP2.72
Rot. Bonds7

About tert-butyl N-[3-[4-[(4-ethoxybenzoyl)amino]piperidin-1-yl]-3-oxopropyl]carbamate

tert-butyl N-[3-[4-[(4-ethoxybenzoyl)amino]piperidin-1-yl]-3-oxopropyl]carbamate (PubChem CID 108551832) has the molecular formula C22H33N3O5 and a molecular weight of 419.52 g/mol. Its IUPAC name is tert-butyl N-[3-[4-[(4-ethoxybenzoyl)amino]piperidin-1-yl]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-[(4-ethoxybenzoyl)amino]piperidin-1-yl]-3-oxopropyl]carbamate
PubChem CID108551832
Molecular FormulaC22H33N3O5
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC Nametert-butyl N-[3-[4-[(4-ethoxybenzoyl)amino]piperidin-1-yl]-3-oxopropyl]carbamate
SMILESCCOc1ccc(C(=O)NC2CCN(C(=O)CCNC(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C22H33N3O5/c1-5-29-18-8-6-16(7-9-18)20(27)24-17-11-14-25(15-12-17)19(26)10-13-23-21(28)30-22(2,3)4/h6-9,17H,5,10-15H2,1-4H3,(H,23,28)(H,24,27)
InChIKeyZCUYDFNVCKBGGZ-UHFFFAOYSA-N
XLogP2.72
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-oxo-3-[4-[(4-pyrrol-1-ylbenzoyl)amino]piperidin-1-yl]propyl]carbamate
CID 108554769
tert-butyl N-[3-oxo-3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidin-1-yl]propyl]carbamate
CID 108919631
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
4-ethoxy-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108551932
tert-butyl N-[3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919622
N-cyclohexyl-4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxamide
CID 3676198
tert-butyl N-[3-[4-[2-(4-chlorophenoxy)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919633
N-[1-[2-(1-adamantyl)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551861
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551882
tert-butyl N-[3-oxo-3-[4-(pentanoylamino)piperidin-1-yl]propyl]carbamate
CID 108555481
[4-[[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
CID 108930368

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-[(4-ethoxybenzoyl)amino]piperidin-1-yl]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-[(4-ethoxybenzoyl)amino]piperidin-1-yl]-3-oxopropyl]carbamate (CID 108551832) is tert-butyl N-[3-[4-[(4-ethoxybenzoyl)amino]piperidin-1-yl]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-[(4-ethoxybenzoyl)amino]piperidin-1-yl]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-[(4-ethoxybenzoyl)amino]piperidin-1-yl]-3-oxopropyl]carbamate is CCOc1ccc(C(=O)NC2CCN(C(=O)CCNC(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl N-[3-[4-[(4-ethoxybenzoyl)amino]piperidin-1-yl]-3-oxopropyl]carbamate?
The InChIKey is ZCUYDFNVCKBGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O5/c1-5-29-18-8-6-16(7-9-18)20(27)24-17-11-14-25(15-12-17)19(26)10-13-23-21(28)30-22(2,3)4/h6-9,17H,5,10-15H2,1-4H3,(H,23,28)(H,24,27).
What are the key properties of tert-butyl N-[3-[4-[(4-ethoxybenzoyl)amino]piperidin-1-yl]-3-oxopropyl]carbamate?
tert-butyl N-[3-[4-[(4-ethoxybenzoyl)amino]piperidin-1-yl]-3-oxopropyl]carbamate has a molecular weight of 419.52 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-[(4-ethoxybenzoyl)amino]piperidin-1-yl]-3-oxopropyl]carbamate is sourced from PubChem (CID 108551832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).