tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]carbamate

C18H33N3O4 — CID 96511062

IUPACtert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]carbamate
SMILESCN1CCC(NC(=O)CN(C[C@H]2CCCO2)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H33N3O4/c1-18(2,3)25-17(23)21(12-15-6-5-11-24-15)13-16(22)19-14-7-9-20(4)10-8-14/h14-15H,5-13H2,1-4H3,(H,19,22)/t15-/m1/s1
InChIKeyRREYVGAKZPKQDR-OAHLLOKOSA-N
MW355.48 g/mol
LogP1.61
Rot. Bonds5

About tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]carbamate

tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]carbamate (PubChem CID 96511062) has the molecular formula C18H33N3O4 and a molecular weight of 355.48 g/mol. Its IUPAC name is tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]carbamate
PubChem CID96511062
Molecular FormulaC18H33N3O4
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC Nametert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]carbamate
SMILESCN1CCC(NC(=O)CN(C[C@H]2CCCO2)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H33N3O4/c1-18(2,3)25-17(23)21(12-15-6-5-11-24-15)13-16(22)19-14-7-9-20(4)10-8-14/h14-15H,5-13H2,1-4H3,(H,19,22)/t15-/m1/s1
InChIKeyRREYVGAKZPKQDR-OAHLLOKOSA-N
XLogP1.61
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 66626438
2-[acetyl(oxolan-2-ylmethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113160234
N-(1-ethylpiperidin-4-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86826056
N-(4-methylcyclohexyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825193
N-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide
CID 55995840
3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 115590775
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 41242425
tert-butyl N-(2-hydroxypropyl)-N-[2-(oxolan-2-ylmethylamino)ethyl]carbamate
CID 107257139
2-(ethylamino)-2-methyl-N,N-bis(oxolan-2-ylmethyl)propanamide
CID 62836813
tert-butyl N-tert-butyl-N-[2-[(1-methylpiperidin-4-yl)amino]ethyl]carbamate
CID 107444815
tert-butyl 3-[methyl(oxan-2-ylmethyl)carbamoyl]azetidine-1-carboxylate
CID 142434776

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]carbamate (CID 96511062) is tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]carbamate is CN1CCC(NC(=O)CN(C[C@H]2CCCO2)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]carbamate?
The InChIKey is RREYVGAKZPKQDR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H33N3O4/c1-18(2,3)25-17(23)21(12-15-6-5-11-24-15)13-16(22)19-14-7-9-20(4)10-8-14/h14-15H,5-13H2,1-4H3,(H,19,22)/t15-/m1/s1.
What are the key properties of tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]carbamate?
tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]carbamate has a molecular weight of 355.48 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]carbamate is sourced from PubChem (CID 96511062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).