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

C22H33N3O5 — CID 108548165

IUPACtert-butyl N-[2-oxo-2-[[1-(4-phenoxybutanoyl)piperidin-4-yl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NC1CCN(C(=O)CCCOc2ccccc2)CC1
InChIInChI=1S/C22H33N3O5/c1-22(2,3)30-21(28)23-16-19(26)24-17-11-13-25(14-12-17)20(27)10-7-15-29-18-8-5-4-6-9-18/h4-6,8-9,17H,7,10-16H2,1-3H3,(H,23,28)(H,24,26)
InChIKeyOZQYWRPMGKLVMR-UHFFFAOYSA-N
MW419.52 g/mol
LogP2.48
Rot. Bonds8

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

tert-butyl N-[2-oxo-2-[[1-(4-phenoxybutanoyl)piperidin-4-yl]amino]ethyl]carbamate (PubChem CID 108548165) has the molecular formula C22H33N3O5 and a molecular weight of 419.52 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[[1-(4-phenoxybutanoyl)piperidin-4-yl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[[1-(4-phenoxybutanoyl)piperidin-4-yl]amino]ethyl]carbamate
PubChem CID108548165
Molecular FormulaC22H33N3O5
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC Nametert-butyl N-[2-oxo-2-[[1-(4-phenoxybutanoyl)piperidin-4-yl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NC1CCN(C(=O)CCCOc2ccccc2)CC1
InChIInChI=1S/C22H33N3O5/c1-22(2,3)30-21(28)23-16-19(26)24-17-11-13-25(14-12-17)20(27)10-7-15-29-18-8-5-4-6-9-18/h4-6,8-9,17H,7,10-16H2,1-3H3,(H,23,28)(H,24,26)
InChIKeyOZQYWRPMGKLVMR-UHFFFAOYSA-N
XLogP2.48
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[4-[4-(4-methylphenoxy)butanoylamino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108553401
tert-butyl N-[3-oxo-3-[[1-(4-phenoxybutanoyl)piperidin-4-yl]methylamino]propyl]carbamate
CID 108919327
N-[1-(4-phenoxybutanoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551285
tert-butyl N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108558894
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-phenoxybutanamide
CID 108553641
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
tert-butyl N-[2-[4-[4-(4-methylphenoxy)butanoyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 108532850
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
tert-butyl N-[2-oxo-2-[[1-(2-sulfanylbenzoyl)piperidin-4-yl]amino]ethyl]carbamate
CID 108548176
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
methyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-1-carboxylate
CID 108558897
tert-butyl N-[2-[4-[3-(2-chlorophenyl)propanoylamino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916790

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[[1-(4-phenoxybutanoyl)piperidin-4-yl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[[1-(4-phenoxybutanoyl)piperidin-4-yl]amino]ethyl]carbamate (CID 108548165) is tert-butyl N-[2-oxo-2-[[1-(4-phenoxybutanoyl)piperidin-4-yl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[[1-(4-phenoxybutanoyl)piperidin-4-yl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[[1-(4-phenoxybutanoyl)piperidin-4-yl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NC1CCN(C(=O)CCCOc2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[2-oxo-2-[[1-(4-phenoxybutanoyl)piperidin-4-yl]amino]ethyl]carbamate?
The InChIKey is OZQYWRPMGKLVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O5/c1-22(2,3)30-21(28)23-16-19(26)24-17-11-13-25(14-12-17)20(27)10-7-15-29-18-8-5-4-6-9-18/h4-6,8-9,17H,7,10-16H2,1-3H3,(H,23,28)(H,24,26).
What are the key properties of tert-butyl N-[2-oxo-2-[[1-(4-phenoxybutanoyl)piperidin-4-yl]amino]ethyl]carbamate?
tert-butyl N-[2-oxo-2-[[1-(4-phenoxybutanoyl)piperidin-4-yl]amino]ethyl]carbamate has a molecular weight of 419.52 g/mol, XLogP of 2.48, 8 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-phenoxybutanoyl)piperidin-4-yl]amino]ethyl]carbamate is sourced from PubChem (CID 108548165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).