N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide

C13H23N3O2 — CID 63251976

IUPACN-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide
SMILESC=CCCC(=O)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C13H23N3O2/c1-2-3-6-12(17)16-9-4-5-11(10-16)13(18)15-8-7-14/h2,11H,1,3-10,14H2,(H,15,18)
InChIKeyOKGSSGCASALYDV-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.27
Rot. Bonds6

About N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide

N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide (PubChem CID 63251976) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide
PubChem CID63251976
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide
SMILESC=CCCC(=O)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C13H23N3O2/c1-2-3-6-12(17)16-9-4-5-11(10-16)13(18)15-8-7-14/h2,11H,1,3-10,14H2,(H,15,18)
InChIKeyOKGSSGCASALYDV-UHFFFAOYSA-N
XLogP0.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide
CID 119482463
N-(2-aminoethyl)-1-(2-cyclobutylacetyl)piperidine-3-carboxamide
CID 103806108
N-(2-aminoethyl)-1-(3-propoxypropanoyl)piperidine-3-carboxamide
CID 63252023
N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride
CID 119260266
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754
N-(2-aminoethyl)-1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119481830
N-(2-aminoethyl)-1-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
N-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride
CID 119916925
N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 119407805
N-(2-aminoethyl)-1-[3-(4-chlorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479751
N-(2-aminoethyl)-1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxamide
CID 119479232

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide (CID 63251976) is N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide is C=CCCC(=O)N1CCCC(C(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide?
The InChIKey is OKGSSGCASALYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-3-6-12(17)16-9-4-5-11(10-16)13(18)15-8-7-14/h2,11H,1,3-10,14H2,(H,15,18).
What are the key properties of N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide?
N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide is sourced from PubChem (CID 63251976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).