tert-butyl N-[[1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentyl]methyl]carbamate

C21H39N3O4 — CID 71854978

IUPACtert-butyl N-[[1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentyl]methyl]carbamate
SMILESCC(C)OCCN1CCN(C(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)CC1
InChIInChI=1S/C21H39N3O4/c1-17(2)27-15-14-23-10-12-24(13-11-23)18(25)21(8-6-7-9-21)16-22-19(26)28-20(3,4)5/h17H,6-16H2,1-5H3,(H,22,26)
InChIKeyXUWXQOMDWNZHPY-UHFFFAOYSA-N
MW397.56 g/mol
LogP2.64
Rot. Bonds7

About tert-butyl N-[[1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentyl]methyl]carbamate

tert-butyl N-[[1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentyl]methyl]carbamate (PubChem CID 71854978) has the molecular formula C21H39N3O4 and a molecular weight of 397.56 g/mol. Its IUPAC name is tert-butyl N-[[1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentyl]methyl]carbamate
PubChem CID71854978
Molecular FormulaC21H39N3O4
Molecular Weight397.56 g/mol
Exact Mass397.29
IUPAC Nametert-butyl N-[[1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentyl]methyl]carbamate
SMILESCC(C)OCCN1CCN(C(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)CC1
InChIInChI=1S/C21H39N3O4/c1-17(2)27-15-14-23-10-12-24(13-11-23)18(25)21(8-6-7-9-21)16-22-19(26)28-20(3,4)5/h17H,6-16H2,1-5H3,(H,22,26)
InChIKeyXUWXQOMDWNZHPY-UHFFFAOYSA-N
XLogP2.64
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[[1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentyl]methyl]carbamate with MolForge

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Related Compounds

ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
CID 119022713
4-methyl-2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentanecarbonyl]oxypentanoic acid
CID 70146696
(4-methoxypiperidin-4-yl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone
CID 119891706
[1-(aminomethyl)cyclohexyl]-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 115437590
methyl 1-[[[1-[[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexanecarbonyl]amino]methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 100953803
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 135217006
3-amino-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119891709
tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
CID 68676140
tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate
CID 171397407
tert-butyl N-[2-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxy]ethyl]carbamate
CID 158666414
tert-butyl N-[2-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]ethyl]carbamate
CID 169093880
tert-butyl N-[2-[4-[3-[[2-[3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazin-1-yl]propylamino]-2-oxoacetyl]amino]propyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 142240393

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentyl]methyl]carbamate (CID 71854978) is tert-butyl N-[[1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentyl]methyl]carbamate is CC(C)OCCN1CCN(C(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)CC1.
What is the InChIKey of tert-butyl N-[[1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentyl]methyl]carbamate?
The InChIKey is XUWXQOMDWNZHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O4/c1-17(2)27-15-14-23-10-12-24(13-11-23)18(25)21(8-6-7-9-21)16-22-19(26)28-20(3,4)5/h17H,6-16H2,1-5H3,(H,22,26).
What are the key properties of tert-butyl N-[[1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentyl]methyl]carbamate?
tert-butyl N-[[1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentyl]methyl]carbamate has a molecular weight of 397.56 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[4-(2-propan-2-yloxyethyl)piperazine-1-carbonyl]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 71854978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).