tert-butyl N-[3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]cyclopentyl]carbamate

C16H27N3O4 — CID 103719952

IUPACtert-butyl N-[3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]cyclopentyl]carbamate
SMILESCN1C(=O)CCC(NC2CCC(NC(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C16H27N3O4/c1-16(2,3)23-15(22)18-11-6-5-10(9-11)17-12-7-8-13(20)19(4)14(12)21/h10-12,17H,5-9H2,1-4H3,(H,18,22)
InChIKeyLNEZPWNJYRPOBZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.17
Rot. Bonds3

About tert-butyl N-[3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]cyclopentyl]carbamate

tert-butyl N-[3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]cyclopentyl]carbamate (PubChem CID 103719952) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is tert-butyl N-[3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]cyclopentyl]carbamate
PubChem CID103719952
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Nametert-butyl N-[3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]cyclopentyl]carbamate
SMILESCN1C(=O)CCC(NC2CCC(NC(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C16H27N3O4/c1-16(2,3)23-15(22)18-11-6-5-10(9-11)17-12-7-8-13(20)19(4)14(12)21/h10-12,17H,5-9H2,1-4H3,(H,18,22)
InChIKeyLNEZPWNJYRPOBZ-UHFFFAOYSA-N
XLogP1.17
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
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tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate
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tert-butyl N-[3-[(2,2-dimethylcyclopropyl)amino]cyclopentyl]carbamate
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tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
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tert-butyl N-[3-[(4-carbamoylcyclohexyl)amino]cyclopentyl]carbamate
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tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
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tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate
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1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
CID 116656521
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]cyclopentyl]carbamate (CID 103719952) is tert-butyl N-[3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]cyclopentyl]carbamate is CN1C(=O)CCC(NC2CCC(NC(=O)OC(C)(C)C)C2)C1=O.
What is the InChIKey of tert-butyl N-[3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]cyclopentyl]carbamate?
The InChIKey is LNEZPWNJYRPOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-16(2,3)23-15(22)18-11-6-5-10(9-11)17-12-7-8-13(20)19(4)14(12)21/h10-12,17H,5-9H2,1-4H3,(H,18,22).
What are the key properties of tert-butyl N-[3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]cyclopentyl]carbamate?
tert-butyl N-[3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]cyclopentyl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]cyclopentyl]carbamate is sourced from PubChem (CID 103719952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).