1-pent-4-enoylpiperidine-4-carboxylic acid

C11H17NO3 — CID 58070908

IUPAC1-pent-4-enoylpiperidine-4-carboxylic acid
SMILESC=CCCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H17NO3/c1-2-3-4-10(13)12-7-5-9(6-8-12)11(14)15/h2,9H,1,3-8H2,(H,14,15)
InChIKeyNIZVBBVQSPWBRN-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.28
Rot. Bonds4

About 1-pent-4-enoylpiperidine-4-carboxylic acid

1-pent-4-enoylpiperidine-4-carboxylic acid (PubChem CID 58070908) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-pent-4-enoylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-pent-4-enoylpiperidine-4-carboxylic acid
PubChem CID58070908
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-pent-4-enoylpiperidine-4-carboxylic acid
SMILESC=CCCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H17NO3/c1-2-3-4-10(13)12-7-5-9(6-8-12)11(14)15/h2,9H,1,3-8H2,(H,14,15)
InChIKeyNIZVBBVQSPWBRN-UHFFFAOYSA-N
XLogP1.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-((Tert-butoxy)carbonyl)-4-(prop-2-en-1-yl)piperidine-4-carboxylic acid
CID 22469198
1-Allylpiperidine-4-carboxylic acid
CID 16244014
1-Acryloylpiperidine-4-carboxylic acid
CID 18702717
4-Ethenyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
CID 165909817
4-(Prop-2-en-1-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
CID 165919331
1-Methyl-4-(prop-2-en-1-yl)piperidine-4-carboxylic acid
CID 20798297
1-But-3-enoylpiperidine-4-carboxylic acid
CID 21892269
1-Pent-4-en-2-ylpiperidine-4-carboxylic acid
CID 54516588
1-[(E)-4-methylpent-2-enoyl]piperidine-4-carboxylic acid
CID 59745588
4-Methoxycarbonyl-4-prop-2-enylpiperidine-1-carboxylic acid
CID 66973548
4-But-3-enylpiperidine-1,4-dicarboxylic acid
CID 90891505
1,4-Piperidinedicarboxylic acid, 4-(2-propen-1-yl)-
CID 91559035

Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enoylpiperidine-4-carboxylic acid?
The IUPAC name of 1-pent-4-enoylpiperidine-4-carboxylic acid (CID 58070908) is 1-pent-4-enoylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-pent-4-enoylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-pent-4-enoylpiperidine-4-carboxylic acid is C=CCCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-pent-4-enoylpiperidine-4-carboxylic acid?
The InChIKey is NIZVBBVQSPWBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-3-4-10(13)12-7-5-9(6-8-12)11(14)15/h2,9H,1,3-8H2,(H,14,15).
What are the key properties of 1-pent-4-enoylpiperidine-4-carboxylic acid?
1-pent-4-enoylpiperidine-4-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enoylpiperidine-4-carboxylic acid is sourced from PubChem (CID 58070908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).