2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid

C13H22N2O3 — CID 113466834

IUPAC2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid
SMILESC=CCC(C)NC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C13H22N2O3/c1-3-6-10(2)14-13(18)15-8-5-4-7-11(15)9-12(16)17/h3,10-11H,1,4-9H2,2H3,(H,14,18)(H,16,17)
InChIKeyRCISVZLCZXBNTR-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.99
Rot. Bonds5

About 2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid

2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid (PubChem CID 113466834) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid
PubChem CID113466834
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid
SMILESC=CCC(C)NC(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C13H22N2O3/c1-3-6-10(2)14-13(18)15-8-5-4-7-11(15)9-12(16)17/h3,10-11H,1,4-9H2,2H3,(H,14,18)(H,16,17)
InChIKeyRCISVZLCZXBNTR-UHFFFAOYSA-N
XLogP1.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]piperidin-2-yl]acetic acid
CID 106346761
2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid
CID 113485792
2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61372720
3-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 83055756
2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61193412
2-[1-(tert-butylcarbamoyl)piperidin-2-yl]acetic acid
CID 61010694
2-[1-(2-methylprop-2-enylcarbamoyl)piperidin-2-yl]acetic acid
CID 114618094
(3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104861496
2-[1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61478764
2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61370169
2-(2-aminopropyl)-N-propan-2-ylazepane-1-carboxamide
CID 112747922
4-(cyclopropanecarbonyl)-N-pent-4-en-2-yl-1,4-diazepane-1-carboxamide
CID 91661763

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid (CID 113466834) is 2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid is C=CCC(C)NC(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid?
The InChIKey is RCISVZLCZXBNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-6-10(2)14-13(18)15-8-5-4-7-11(15)9-12(16)17/h3,10-11H,1,4-9H2,2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid?
2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pent-4-en-2-ylcarbamoyl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 113466834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).