tert-butyl N-[[(3R)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]methyl]carbamate

C26H33N3O4 — CID 143321778

IUPACtert-butyl N-[[(3R)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CNCC(C(=O)NCC2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C26H33N3O4/c1-26(2,3)33-25(31)29-14-17-12-18(15-27-13-17)24(30)28-16-21-19-8-4-6-10-22(19)32-23-11-7-5-9-20(21)23/h4-11,17-18,21,27H,12-16H2,1-3H3,(H,28,30)(H,29,31)/t17-,18?/m1/s1
InChIKeyRBELYSUKJKOSSL-QNSVNVJESA-N
MW451.57 g/mol
LogP3.79
Rot. Bonds5

About tert-butyl N-[[(3R)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]methyl]carbamate

tert-butyl N-[[(3R)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]methyl]carbamate (PubChem CID 143321778) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is tert-butyl N-[[(3R)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3R)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]methyl]carbamate
PubChem CID143321778
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Nametert-butyl N-[[(3R)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CNCC(C(=O)NCC2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C26H33N3O4/c1-26(2,3)33-25(31)29-14-17-12-18(15-27-13-17)24(30)28-16-21-19-8-4-6-10-22(19)32-23-11-7-5-9-20(21)23/h4-11,17-18,21,27H,12-16H2,1-3H3,(H,28,30)(H,29,31)/t17-,18?/m1/s1
InChIKeyRBELYSUKJKOSSL-QNSVNVJESA-N
XLogP3.79
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[(3R)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]methyl]carbamate with MolForge

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Related Compounds

(3S)-N-(9H-xanthen-9-ylmethyl)piperidine-3-carboxamide
CID 70699423
tert-butyl 3-(methylcarbamoyl)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 69136579
tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate
CID 97007606
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[(2-fluoro-6H-benzo[b][1,4]benzodioxepin-6-yl)methyl]carbamate
CID 165410078
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-[[2-(2,3-dihydro-1-benzofuran-3-ylamino)cyclopentyl]methyl]carbamate
CID 113242267
1-(9H-fluoren-9-ylmethoxycarbonyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-3-carboxylic acid
CID 136575884
tert-butyl N-[[(5R)-5H-[1,5]benzodioxepino[4,3-c]pyridin-5-yl]methyl]carbamate
CID 175833939
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[(4-phenylpyrrolidin-3-yl)methyl]carbamate
CID 53439169
tert-butyl N-[[(3S,4R)-4-hydroxy-1,2,3,4-tetrahydroquinolin-3-yl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3R)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(3R)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]methyl]carbamate (CID 143321778) is tert-butyl N-[[(3R)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3R)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3R)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1CNCC(C(=O)NCC2c3ccccc3Oc3ccccc32)C1.
What is the InChIKey of tert-butyl N-[[(3R)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]methyl]carbamate?
The InChIKey is RBELYSUKJKOSSL-QNSVNVJESA-N. The full InChI is InChI=1S/C26H33N3O4/c1-26(2,3)33-25(31)29-14-17-12-18(15-27-13-17)24(30)28-16-21-19-8-4-6-10-22(19)32-23-11-7-5-9-20(21)23/h4-11,17-18,21,27H,12-16H2,1-3H3,(H,28,30)(H,29,31)/t17-,18?/m1/s1.
What are the key properties of tert-butyl N-[[(3R)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]methyl]carbamate?
tert-butyl N-[[(3R)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]methyl]carbamate has a molecular weight of 451.57 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3R)-5-(9H-xanthen-9-ylmethylcarbamoyl)piperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 143321778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).