tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate

C15H29N3O3 — CID 57496371

IUPACtert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCN(C)CCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)18-9-6-12(7-10-18)13(19)16-8-11-17(4)5/h12H,6-11H2,1-5H3,(H,16,19)
InChIKeyVASVKIIRFWIJHZ-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.31
Rot. Bonds4

About tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate

tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate (PubChem CID 57496371) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate
PubChem CID57496371
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Nametert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCN(C)CCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)18-9-6-12(7-10-18)13(19)16-8-11-17(4)5/h12H,6-11H2,1-5H3,(H,16,19)
InChIKeyVASVKIIRFWIJHZ-UHFFFAOYSA-N
XLogP1.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate
CID 4268905
tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate
CID 3493104
tert-butyl 4-[2-(1-ethylpiperidin-4-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 129124758
tert-butyl 3-[2-(diethylamino)ethylcarbamoyl]azetidine-1-carboxylate
CID 178059577
tert-butyl 4-(5-methylsulfonyloxypentylcarbamoyl)piperidine-1-carboxylate
CID 140841497
tert-butyl 4-[2-[2-(dimethylamino)ethoxy]ethylamino]piperidine-1-carboxylate
CID 103952748
tert-butyl 4-[2-(4-methoxyphenoxy)ethylcarbamoyl]piperidine-1-carboxylate
CID 51232746
tert-butyl 4-[2-(cyclopropanecarbonylamino)acetyl]-1,4-diazepane-1-carboxylate
CID 95752747
tert-butyl (3S)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylate
CID 67294567
tert-butyl (3S)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311882
tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311884
tert-butyl 4-[2-(furan-2-carbonylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 30797213

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate (CID 57496371) is tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate is CN(C)CCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is VASVKIIRFWIJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)18-9-6-12(7-10-18)13(19)16-8-11-17(4)5/h12H,6-11H2,1-5H3,(H,16,19).
What are the key properties of tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 57496371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).