N-(3-hydroxypropyl)-1-(3-methylbut-2-enoyl)piperidine-4-carboxamide

C14H24N2O3 — CID 113264647

IUPACN-(3-hydroxypropyl)-1-(3-methylbut-2-enoyl)piperidine-4-carboxamide
SMILESCC(C)=CC(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C14H24N2O3/c1-11(2)10-13(18)16-7-4-12(5-8-16)14(19)15-6-3-9-17/h10,12,17H,3-9H2,1-2H3,(H,15,19)
InChIKeyOPOSTBJPDUWJLP-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.69
Rot. Bonds5

About N-(3-hydroxypropyl)-1-(3-methylbut-2-enoyl)piperidine-4-carboxamide

N-(3-hydroxypropyl)-1-(3-methylbut-2-enoyl)piperidine-4-carboxamide (PubChem CID 113264647) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-(3-methylbut-2-enoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-(3-methylbut-2-enoyl)piperidine-4-carboxamide
PubChem CID113264647
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-(3-hydroxypropyl)-1-(3-methylbut-2-enoyl)piperidine-4-carboxamide
SMILESCC(C)=CC(=O)N1CCC(C(=O)NCCCO)CC1
InChIInChI=1S/C14H24N2O3/c1-11(2)10-13(18)16-7-4-12(5-8-16)14(19)15-6-3-9-17/h10,12,17H,3-9H2,1-2H3,(H,15,19)
InChIKeyOPOSTBJPDUWJLP-UHFFFAOYSA-N
XLogP0.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 40166797
N-{2-[3-(Hydroxymethyl)piperidin-1-YL]ethyl}-3-methylbut-2-enamide
CID 56757691
N-(3-hydroxypropyl)-1-methylpiperidine-4-carboxamide
CID 15068852
N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-2-methylprop-2-enamide
CID 58999388
2-hydroxy-4-methyl-1-(piperidin-4-ylmethyl)-2H-pyrrol-5-one
CID 134423952
1-[(E)-4-(dimethylamino)but-2-enoyl]-N-methylpiperidine-4-carboxamide
CID 135255719
1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 43392702
N-(3-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 43417584
N-(3-hydroxypropyl)-1-prop-2-enoylpiperidine-4-carboxamide
CID 54875832
N-butyl-1-(3-hydroxypropyl)piperidine-4-carboxamide
CID 60496388
N-(3-hydroxypropyl)-1-[4-(methylamino)butanoyl]piperidine-4-carboxamide
CID 60953715
1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1-(3-methylbut-2-enoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1-(3-methylbut-2-enoyl)piperidine-4-carboxamide (CID 113264647) is N-(3-hydroxypropyl)-1-(3-methylbut-2-enoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-(3-methylbut-2-enoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-(3-methylbut-2-enoyl)piperidine-4-carboxamide is CC(C)=CC(=O)N1CCC(C(=O)NCCCO)CC1.
What is the InChIKey of N-(3-hydroxypropyl)-1-(3-methylbut-2-enoyl)piperidine-4-carboxamide?
The InChIKey is OPOSTBJPDUWJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11(2)10-13(18)16-7-4-12(5-8-16)14(19)15-6-3-9-17/h10,12,17H,3-9H2,1-2H3,(H,15,19).
What are the key properties of N-(3-hydroxypropyl)-1-(3-methylbut-2-enoyl)piperidine-4-carboxamide?
N-(3-hydroxypropyl)-1-(3-methylbut-2-enoyl)piperidine-4-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-(3-methylbut-2-enoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113264647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).