2-(hydroxymethyl)-3-piperidin-1-ylprop-2-enamide

C9H16N2O2 — CID 67622016

IUPAC2-(hydroxymethyl)-3-piperidin-1-ylprop-2-enamide
SMILESNC(=O)C(=CN1CCCCC1)CO
InChIInChI=1S/C9H16N2O2/c10-9(13)8(7-12)6-11-4-2-1-3-5-11/h6,12H,1-5,7H2,(H2,10,13)
InChIKeyDWTSFRUSUJCBGR-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.17
Rot. Bonds3

About 2-(hydroxymethyl)-3-piperidin-1-ylprop-2-enamide

2-(hydroxymethyl)-3-piperidin-1-ylprop-2-enamide (PubChem CID 67622016) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-piperidin-1-ylprop-2-enamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-piperidin-1-ylprop-2-enamide
PubChem CID67622016
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-(hydroxymethyl)-3-piperidin-1-ylprop-2-enamide
SMILESNC(=O)C(=CN1CCCCC1)CO
InChIInChI=1S/C9H16N2O2/c10-9(13)8(7-12)6-11-4-2-1-3-5-11/h6,12H,1-5,7H2,(H2,10,13)
InChIKeyDWTSFRUSUJCBGR-UHFFFAOYSA-N
XLogP-0.17
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enylpiperidine;urea
CID 66978518
(Z)-2-hydroxy-1-piperidin-1-ylpent-1-en-3-one
CID 71775865
2-oxo-2-piperidin-1-ylacetamide
CID 22394328
carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 70077869
(2Z)-2-(hydroxymethyl)hexa-2,5-dienamide
CID 90230508
formic acid;1-piperidin-1-ylpiperidine;urea
CID 174160275
1-ethenylpiperidine;hydrazine
CID 159894800
1-[(E)-2-ethylhex-1-enyl]piperidine
CID 90470845
2-[(E)-piperidin-1-ylmethylideneamino]guanidine;hydrochloride
CID 54599948
(2-oxo-2-piperidin-1-ylethyl) carbamate
CID 175217966
2-methyl-3-piperidin-1-ylprop-2-enal
CID 139894939
cyclohexane;hexanediamide
CID 22340258

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-piperidin-1-ylprop-2-enamide?
The IUPAC name of 2-(hydroxymethyl)-3-piperidin-1-ylprop-2-enamide (CID 67622016) is 2-(hydroxymethyl)-3-piperidin-1-ylprop-2-enamide.
What is the SMILES notation for 2-(hydroxymethyl)-3-piperidin-1-ylprop-2-enamide?
The canonical SMILES for 2-(hydroxymethyl)-3-piperidin-1-ylprop-2-enamide is NC(=O)C(=CN1CCCCC1)CO.
What is the InChIKey of 2-(hydroxymethyl)-3-piperidin-1-ylprop-2-enamide?
The InChIKey is DWTSFRUSUJCBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-9(13)8(7-12)6-11-4-2-1-3-5-11/h6,12H,1-5,7H2,(H2,10,13).
What are the key properties of 2-(hydroxymethyl)-3-piperidin-1-ylprop-2-enamide?
2-(hydroxymethyl)-3-piperidin-1-ylprop-2-enamide has a molecular weight of 184.24 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-piperidin-1-ylprop-2-enamide is sourced from PubChem (CID 67622016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).