[1-(2-formamidoethyl)piperidin-4-yl] butanoate

C12H22N2O3 — CID 145305097

IUPAC[1-(2-formamidoethyl)piperidin-4-yl] butanoate
SMILESCCCC(=O)OC1CCN(CCNC=O)CC1
InChIInChI=1S/C12H22N2O3/c1-2-3-12(16)17-11-4-7-14(8-5-11)9-6-13-10-15/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyFYJQIEHACJKLLL-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds7

About [1-(2-formamidoethyl)piperidin-4-yl] butanoate

[1-(2-formamidoethyl)piperidin-4-yl] butanoate (PubChem CID 145305097) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is [1-(2-formamidoethyl)piperidin-4-yl] butanoate.

Molecular Properties

Compound Name[1-(2-formamidoethyl)piperidin-4-yl] butanoate
PubChem CID145305097
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name[1-(2-formamidoethyl)piperidin-4-yl] butanoate
SMILESCCCC(=O)OC1CCN(CCNC=O)CC1
InChIInChI=1S/C12H22N2O3/c1-2-3-12(16)17-11-4-7-14(8-5-11)9-6-13-10-15/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyFYJQIEHACJKLLL-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-propylpiperidin-4-yl) 3-aminopropanoate
CID 70927210
6-bromo-2-[(E)-2-(4-chlorophenyl)ethenyl]-3-methyl-1H-indole;[1-(2-formamidoethyl)piperidin-4-yl] butanoate
CID 145305096
(1-propylpiperidin-4-yl) 3-(4-propan-2-ylpiperazin-1-yl)propanoate
CID 70927205
N-[2-[4-(dicyclopropylamino)piperidin-1-yl]ethyl]formamide
CID 54260066
copper;cyclohexyl butanoate
CID 67654151
[1-(2-acetamidoethyl)piperidin-4-yl] acetate
CID 58811218
strontium;cyclohexyl butanoate;hydride
CID 173148532
magnesium;cyclohexyl butanoate;hydride
CID 174620917
potassium;cyclohexyl butanoate;hydride
CID 174359508
(1-hydroxypiperidin-4-yl) octanoate
CID 21019115
(1-methylpiperidin-4-yl) (Z)-octadec-9-enoate
CID 141487314
(1-butylpiperidin-4-yl) N-(2-hydroxyethyl)carbamate
CID 23171365

Frequently Asked Questions

What is the IUPAC name of [1-(2-formamidoethyl)piperidin-4-yl] butanoate?
The IUPAC name of [1-(2-formamidoethyl)piperidin-4-yl] butanoate (CID 145305097) is [1-(2-formamidoethyl)piperidin-4-yl] butanoate.
What is the SMILES notation for [1-(2-formamidoethyl)piperidin-4-yl] butanoate?
The canonical SMILES for [1-(2-formamidoethyl)piperidin-4-yl] butanoate is CCCC(=O)OC1CCN(CCNC=O)CC1.
What is the InChIKey of [1-(2-formamidoethyl)piperidin-4-yl] butanoate?
The InChIKey is FYJQIEHACJKLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-3-12(16)17-11-4-7-14(8-5-11)9-6-13-10-15/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of [1-(2-formamidoethyl)piperidin-4-yl] butanoate?
[1-(2-formamidoethyl)piperidin-4-yl] butanoate has a molecular weight of 242.32 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-formamidoethyl)piperidin-4-yl] butanoate is sourced from PubChem (CID 145305097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).