ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate

C14H26N2O3 — CID 3860423

IUPACethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate
SMILESCCCCCNC(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C14H26N2O3/c1-3-5-6-9-15-14(18)16-10-7-12(8-11-16)13(17)19-4-2/h12H,3-11H2,1-2H3,(H,15,18)
InChIKeyUZDZPCJRUDDJBZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.16
Rot. Bonds6

About ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate

ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate (PubChem CID 3860423) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate
PubChem CID3860423
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate
SMILESCCCCCNC(=O)N1CCC(C(=O)OCC)CC1
InChIInChI=1S/C14H26N2O3/c1-3-5-6-9-15-14(18)16-10-7-12(8-11-16)13(17)19-4-2/h12H,3-11H2,1-2H3,(H,15,18)
InChIKeyUZDZPCJRUDDJBZ-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.16
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

ethyl 1-(methoxymethylcarbamoyl)piperidine-4-carboxylate
CID 110675946
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172435
ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837933
4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
CID 110894057
4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021638
ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60718676
ethyl 1-(trifluoromethylcarbamoyl)piperidine-4-carboxylate
CID 108865828
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
N-butyl-4-(2,3,4,5,6-pentamethylbenzoyl)piperidine-1-carboxamide
CID 2805781

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate (CID 3860423) is ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate is CCCCCNC(=O)N1CCC(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is UZDZPCJRUDDJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-5-6-9-15-14(18)16-10-7-12(8-11-16)13(17)19-4-2/h12H,3-11H2,1-2H3,(H,15,18).
What are the key properties of ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate?
ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 3860423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).