benzyl N-[2-oxo-2-(2-piperidin-4-ylethylamino)ethyl]carbamate;tert-butyl formate

C22H35N3O5 — CID 174578765

IUPACbenzyl N-[2-oxo-2-(2-piperidin-4-ylethylamino)ethyl]carbamate;tert-butyl formate
SMILESCC(C)(C)OC=O.O=C(CNC(=O)OCc1ccccc1)NCCC1CCNCC1
InChIInChI=1S/C17H25N3O3.C5H10O2/c21-16(19-11-8-14-6-9-18-10-7-14)12-20-17(22)23-13-15-4-2-1-3-5-15;1-5(2,3)7-4-6/h1-5,14,18H,6-13H2,(H,19,21)(H,20,22);4H,1-3H3
InChIKeyVSPKQPUZXGXSAQ-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.38
Rot. Bonds8

About benzyl N-[2-oxo-2-(2-piperidin-4-ylethylamino)ethyl]carbamate;tert-butyl formate

benzyl N-[2-oxo-2-(2-piperidin-4-ylethylamino)ethyl]carbamate;tert-butyl formate (PubChem CID 174578765) has the molecular formula C22H35N3O5 and a molecular weight of 421.54 g/mol. Its IUPAC name is benzyl N-[2-oxo-2-(2-piperidin-4-ylethylamino)ethyl]carbamate;tert-butyl formate.

Molecular Properties

Compound Namebenzyl N-[2-oxo-2-(2-piperidin-4-ylethylamino)ethyl]carbamate;tert-butyl formate
PubChem CID174578765
Molecular FormulaC22H35N3O5
Molecular Weight421.54 g/mol
Exact Mass421.26
IUPAC Namebenzyl N-[2-oxo-2-(2-piperidin-4-ylethylamino)ethyl]carbamate;tert-butyl formate
SMILESCC(C)(C)OC=O.O=C(CNC(=O)OCc1ccccc1)NCCC1CCNCC1
InChIInChI=1S/C17H25N3O3.C5H10O2/c21-16(19-11-8-14-6-9-18-10-7-14)12-20-17(22)23-13-15-4-2-1-3-5-15;1-5(2,3)7-4-6/h1-5,14,18H,6-13H2,(H,19,21)(H,20,22);4H,1-3H3
InChIKeyVSPKQPUZXGXSAQ-UHFFFAOYSA-N
XLogP2.38
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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benzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate
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benzyl N-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]cyclohexyl]carbamate
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CID 118927964
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CID 176911085
benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126009561
benzyl N-[4-(3-phenylmethoxyphenyl)piperidin-3-yl]carbamate;tert-butyl formate
CID 174609199
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CID 53419264

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-oxo-2-(2-piperidin-4-ylethylamino)ethyl]carbamate;tert-butyl formate?
The IUPAC name of benzyl N-[2-oxo-2-(2-piperidin-4-ylethylamino)ethyl]carbamate;tert-butyl formate (CID 174578765) is benzyl N-[2-oxo-2-(2-piperidin-4-ylethylamino)ethyl]carbamate;tert-butyl formate.
What is the SMILES notation for benzyl N-[2-oxo-2-(2-piperidin-4-ylethylamino)ethyl]carbamate;tert-butyl formate?
The canonical SMILES for benzyl N-[2-oxo-2-(2-piperidin-4-ylethylamino)ethyl]carbamate;tert-butyl formate is CC(C)(C)OC=O.O=C(CNC(=O)OCc1ccccc1)NCCC1CCNCC1.
What is the InChIKey of benzyl N-[2-oxo-2-(2-piperidin-4-ylethylamino)ethyl]carbamate;tert-butyl formate?
The InChIKey is VSPKQPUZXGXSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.C5H10O2/c21-16(19-11-8-14-6-9-18-10-7-14)12-20-17(22)23-13-15-4-2-1-3-5-15;1-5(2,3)7-4-6/h1-5,14,18H,6-13H2,(H,19,21)(H,20,22);4H,1-3H3.
What are the key properties of benzyl N-[2-oxo-2-(2-piperidin-4-ylethylamino)ethyl]carbamate;tert-butyl formate?
benzyl N-[2-oxo-2-(2-piperidin-4-ylethylamino)ethyl]carbamate;tert-butyl formate has a molecular weight of 421.54 g/mol, XLogP of 2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-oxo-2-(2-piperidin-4-ylethylamino)ethyl]carbamate;tert-butyl formate is sourced from PubChem (CID 174578765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).