tert-butyl N-[[4-(2-amino-2-oxoethoxy)-3-piperidin-4-ylphenyl]methyl]carbamate

C19H29N3O4 — CID 67257166

IUPACtert-butyl N-[[4-(2-amino-2-oxoethoxy)-3-piperidin-4-ylphenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(OCC(N)=O)c(C2CCNCC2)c1
InChIInChI=1S/C19H29N3O4/c1-19(2,3)26-18(24)22-11-13-4-5-16(25-12-17(20)23)15(10-13)14-6-8-21-9-7-14/h4-5,10,14,21H,6-9,11-12H2,1-3H3,(H2,20,23)(H,22,24)
InChIKeyOHPAELQOHPXMOT-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.04
Rot. Bonds6

About tert-butyl N-[[4-(2-amino-2-oxoethoxy)-3-piperidin-4-ylphenyl]methyl]carbamate

tert-butyl N-[[4-(2-amino-2-oxoethoxy)-3-piperidin-4-ylphenyl]methyl]carbamate (PubChem CID 67257166) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl N-[[4-(2-amino-2-oxoethoxy)-3-piperidin-4-ylphenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(2-amino-2-oxoethoxy)-3-piperidin-4-ylphenyl]methyl]carbamate
PubChem CID67257166
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nametert-butyl N-[[4-(2-amino-2-oxoethoxy)-3-piperidin-4-ylphenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(OCC(N)=O)c(C2CCNCC2)c1
InChIInChI=1S/C19H29N3O4/c1-19(2,3)26-18(24)22-11-13-4-5-16(25-12-17(20)23)15(10-13)14-6-8-21-9-7-14/h4-5,10,14,21H,6-9,11-12H2,1-3H3,(H2,20,23)(H,22,24)
InChIKeyOHPAELQOHPXMOT-UHFFFAOYSA-N
XLogP2.04
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[[4-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate
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tert-butyl N-[[3-[(piperazine-1-carbonylamino)methyl]phenyl]methyl]carbamate
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tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate
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2-methoxy-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoic acid
CID 77230394
ethyl 2-[2-methoxy-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenoxy]-2-methylpropanoate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(2-amino-2-oxoethoxy)-3-piperidin-4-ylphenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(2-amino-2-oxoethoxy)-3-piperidin-4-ylphenyl]methyl]carbamate (CID 67257166) is tert-butyl N-[[4-(2-amino-2-oxoethoxy)-3-piperidin-4-ylphenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(2-amino-2-oxoethoxy)-3-piperidin-4-ylphenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(2-amino-2-oxoethoxy)-3-piperidin-4-ylphenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(OCC(N)=O)c(C2CCNCC2)c1.
What is the InChIKey of tert-butyl N-[[4-(2-amino-2-oxoethoxy)-3-piperidin-4-ylphenyl]methyl]carbamate?
The InChIKey is OHPAELQOHPXMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-19(2,3)26-18(24)22-11-13-4-5-16(25-12-17(20)23)15(10-13)14-6-8-21-9-7-14/h4-5,10,14,21H,6-9,11-12H2,1-3H3,(H2,20,23)(H,22,24).
What are the key properties of tert-butyl N-[[4-(2-amino-2-oxoethoxy)-3-piperidin-4-ylphenyl]methyl]carbamate?
tert-butyl N-[[4-(2-amino-2-oxoethoxy)-3-piperidin-4-ylphenyl]methyl]carbamate has a molecular weight of 363.46 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(2-amino-2-oxoethoxy)-3-piperidin-4-ylphenyl]methyl]carbamate is sourced from PubChem (CID 67257166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).