N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylbut-2-enamide

C13H24N2O2 — CID 56757691

IUPACN-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCCN1CCCC(CO)C1
InChIInChI=1S/C13H24N2O2/c1-11(2)8-13(17)14-5-7-15-6-3-4-12(9-15)10-16/h8,12,16H,3-7,9-10H2,1-2H3,(H,14,17)
InChIKeyAEUIQRXMFWLZNT-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.77
Rot. Bonds5

About N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylbut-2-enamide

N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylbut-2-enamide (PubChem CID 56757691) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylbut-2-enamide
PubChem CID56757691
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NCCN1CCCC(CO)C1
InChIInChI=1S/C13H24N2O2/c1-11(2)8-13(17)14-5-7-15-6-3-4-12(9-15)10-16/h8,12,16H,3-7,9-10H2,1-2H3,(H,14,17)
InChIKeyAEUIQRXMFWLZNT-UHFFFAOYSA-N
XLogP0.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(Hydroxymethyl)piperidin-1-yl]-3-methylbut-2-en-1-one
CID 43422381
2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 60642393
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]acetamide
CID 60677410
2-[3-(hydroxymethyl)piperidin-1-yl]-N-prop-2-enylpropanamide
CID 60677445
1-[3-(Hydroxymethyl)piperidin-1-yl]-2-(prop-2-enylamino)ethanone
CID 79285564
N-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylbut-2-enamide
CID 95226599
N-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylbut-2-enamide
CID 95226600
N-(5-hydroxy-4-methylpentyl)-3-methylbut-2-enamide
CID 103861923
1-[2-[(5-Hydroxy-4-methylpentyl)amino]ethyl]pyridin-2-one
CID 106159969
2-[3-(hydroxymethyl)-3-methylpiperidin-1-yl]-N-prop-2-enylacetamide
CID 112416573
N-(3-hydroxypropyl)-1-(3-methylbut-2-enoyl)piperidine-4-carboxamide
CID 113264647
2-(Azetidin-3-ylidene)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 116674992

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylbut-2-enamide?
The IUPAC name of N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylbut-2-enamide (CID 56757691) is N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylbut-2-enamide is CC(C)=CC(=O)NCCN1CCCC(CO)C1.
What is the InChIKey of N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylbut-2-enamide?
The InChIKey is AEUIQRXMFWLZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(2)8-13(17)14-5-7-15-6-3-4-12(9-15)10-16/h8,12,16H,3-7,9-10H2,1-2H3,(H,14,17).
What are the key properties of N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylbut-2-enamide?
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylbut-2-enamide has a molecular weight of 240.35 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylbut-2-enamide is sourced from PubChem (CID 56757691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).