tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate

C18H34N2O3 — CID 4268905

IUPACtert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate
SMILESCCCCCCCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N2O3/c1-5-6-7-8-9-12-19-16(21)15-10-13-20(14-11-15)17(22)23-18(2,3)4/h15H,5-14H2,1-4H3,(H,19,21)
InChIKeyFOZFRHNJBCARBP-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.72
Rot. Bonds7

About tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate

tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate (PubChem CID 4268905) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate
PubChem CID4268905
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate
SMILESCCCCCCCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N2O3/c1-5-6-7-8-9-12-19-16(21)15-10-13-20(14-11-15)17(22)23-18(2,3)4/h15H,5-14H2,1-4H3,(H,19,21)
InChIKeyFOZFRHNJBCARBP-UHFFFAOYSA-N
XLogP3.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate
CID 43176190
tert-butyl 4-(5-methylsulfonyloxypentylcarbamoyl)piperidine-1-carboxylate
CID 140841497
tert-butyl 4-(hexylcarbamoyl)piperazine-1-carboxylate
CID 46743121
tert-butyl 4-[(pentylamino)methyl]piperidine-1-carboxylate
CID 79697806
tert-butyl 4-[2-(dimethylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 57496371
tert-butyl 4-(3-propan-2-yloxypropylcarbamoyl)piperidine-1-carboxylate
CID 3493104
tert-butyl (2S)-2-(hexylcarbamoyl)azetidine-1-carboxylate
CID 58606947
tert-butyl 2-(octylcarbamoyl)azepane-1-carboxylate
CID 21019257
tert-butyl (3R,4S)-3-(hexylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
CID 167357096
tert-butyl 4-[2-(1-ethylpiperidin-4-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 129124758
3-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 154961304
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate (CID 4268905) is tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate is CCCCCCCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is FOZFRHNJBCARBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-5-6-7-8-9-12-19-16(21)15-10-13-20(14-11-15)17(22)23-18(2,3)4/h15H,5-14H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 326.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(heptylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 4268905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).