decyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate

C24H43NO3 — CID 91740005

IUPACdecyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate
SMILESCCCCCCCCCCOC(=O)C1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C24H43NO3/c1-2-3-4-5-6-7-8-11-20-28-24(27)22-16-18-25(19-17-22)23(26)15-14-21-12-9-10-13-21/h21-22H,2-20H2,1H3
InChIKeyJIDUYXVOGMTFCX-UHFFFAOYSA-N
MW393.61 g/mol
LogP5.88
Rot. Bonds13

About decyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate

decyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate (PubChem CID 91740005) has the molecular formula C24H43NO3 and a molecular weight of 393.61 g/mol. Its IUPAC name is decyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namedecyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate
PubChem CID91740005
Molecular FormulaC24H43NO3
Molecular Weight393.61 g/mol
Exact Mass393.32
IUPAC Namedecyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate
SMILESCCCCCCCCCCOC(=O)C1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C24H43NO3/c1-2-3-4-5-6-7-8-11-20-28-24(27)22-16-18-25(19-17-22)23(26)15-14-21-12-9-10-13-21/h21-22H,2-20H2,1H3
InChIKeyJIDUYXVOGMTFCX-UHFFFAOYSA-N
XLogP5.88
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.61
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 1-octanoylpiperidine-4-carboxylate
CID 91728400
heptyl 1-(3-chloropropanoyl)piperidine-4-carboxylate
CID 91740781
hexyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
CID 78877062
nonyl cyclopentanecarboxylate
CID 575427
hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 78877614
1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
CID 91742588
1-O-prop-2-enyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
CID 91742586
4-O-hexyl 1-O-prop-2-enyl piperidine-1,4-dicarboxylate
CID 91734422
dodecyl 1-methylpiperidine-4-carboxylate
CID 138584013
pentadecyl cyclopropanecarboxylate
CID 560133
4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
nonyl 1-prop-2-enoylpiperidine-4-carboxylate
CID 91738806

Frequently Asked Questions

What is the IUPAC name of decyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of decyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate (CID 91740005) is decyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for decyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for decyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate is CCCCCCCCCCOC(=O)C1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of decyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate?
The InChIKey is JIDUYXVOGMTFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO3/c1-2-3-4-5-6-7-8-11-20-28-24(27)22-16-18-25(19-17-22)23(26)15-14-21-12-9-10-13-21/h21-22H,2-20H2,1H3.
What are the key properties of decyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate?
decyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate has a molecular weight of 393.61 g/mol, XLogP of 5.88, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 91740005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).