tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate

C16H30N2O3 — CID 43176190

IUPACtert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate
SMILESCCCCCNC(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-5-6-7-10-17-14(19)13-9-8-11-18(12-13)15(20)21-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,19)
InChIKeyRGTYNMJPSVBHOY-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.94
Rot. Bonds5

About tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate

tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate (PubChem CID 43176190) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate
PubChem CID43176190
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate
SMILESCCCCCNC(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O3/c1-5-6-7-10-17-14(19)13-9-8-11-18(12-13)15(20)21-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,19)
InChIKeyRGTYNMJPSVBHOY-UHFFFAOYSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.94
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 4-(heptylcarbamoyl)piperidine-1-carboxylate
CID 4268905
tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate
CID 43176192
methyl 3-(butylcarbamoyl)piperidine-1-carboxylate
CID 110754259
tert-butyl 3-pentanoylpiperidine-1-carboxylate
CID 82092945
tert-butyl (3R)-3-(pentylamino)azepane-1-carboxylate
CID 164579167
tert-butyl 3-[2-(2-oxoazepan-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 55688927
tert-butyl 2-(octylcarbamoyl)azepane-1-carboxylate
CID 21019257
N-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344181
tert-butyl N-[2-[[(3S)-1-acetylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 94813303
tert-butyl (3R)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 31327704
tert-butyl 3-[(4-butoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554251
tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate
CID 160697119

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate (CID 43176190) is tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate is CCCCCNC(=O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is RGTYNMJPSVBHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-6-7-10-17-14(19)13-9-8-11-18(12-13)15(20)21-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 43176190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).