tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate

C16H29N3O3 — CID 134435769

IUPACtert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate
SMILESCN1CCC(C)(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H29N3O3/c1-14(2,3)22-13(21)18-16(6-7-16)12(20)17-15(4)8-10-19(5)11-9-15/h6-11H2,1-5H3,(H,17,20)(H,18,21)
InChIKeyJGNJQTARMSACCO-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.64
Rot. Bonds3

About tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate

tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate (PubChem CID 134435769) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate
PubChem CID134435769
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Nametert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate
SMILESCN1CCC(C)(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C16H29N3O3/c1-14(2,3)22-13(21)18-16(6-7-16)12(20)17-15(4)8-10-19(5)11-9-15/h6-11H2,1-5H3,(H,17,20)(H,18,21)
InChIKeyJGNJQTARMSACCO-UHFFFAOYSA-N
XLogP1.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane
CID 142326878
tert-butyl N-[4-[(4-methyl-1-propan-2-ylpiperidin-4-yl)carbamoyl]oxan-4-yl]carbamate
CID 134515075
tert-butyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 67240999
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate
CID 135177659
tert-butyl N-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 164896897
tert-butyl N-(1,1-dihydroxy-3-methylthietan-3-yl)carbamate
CID 171922241
tert-butyl N-[1-(1-hydroxyethenyl)cyclopropyl]carbamate
CID 70266871
tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate
CID 174499135
tert-butyl N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]carbamate
CID 140958930
tert-butyl N-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamate
CID 86722600
tert-butyl N-[4-(hydroxymethyl)-1-methylazepan-4-yl]carbamate
CID 84806018

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate (CID 134435769) is tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate is CN1CCC(C)(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate?
The InChIKey is JGNJQTARMSACCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-14(2,3)22-13(21)18-16(6-7-16)12(20)17-15(4)8-10-19(5)11-9-15/h6-11H2,1-5H3,(H,17,20)(H,18,21).
What are the key properties of tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate?
tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate has a molecular weight of 311.43 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate is sourced from PubChem (CID 134435769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).