N-(2-methylpiperidin-1-yl)prop-2-enamide

C9H16N2O — CID 156540718

IUPACN-(2-methylpiperidin-1-yl)prop-2-enamide
SMILESC=CC(=O)NN1CCCCC1C
InChIInChI=1S/C9H16N2O/c1-3-9(12)10-11-7-5-4-6-8(11)2/h3,8H,1,4-7H2,2H3,(H,10,12)
InChIKeyJCUKGYHSPDFIEL-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.08
Rot. Bonds2

About N-(2-methylpiperidin-1-yl)prop-2-enamide

N-(2-methylpiperidin-1-yl)prop-2-enamide (PubChem CID 156540718) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(2-methylpiperidin-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-1-yl)prop-2-enamide
PubChem CID156540718
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(2-methylpiperidin-1-yl)prop-2-enamide
SMILESC=CC(=O)NN1CCCCC1C
InChIInChI=1S/C9H16N2O/c1-3-9(12)10-11-7-5-4-6-8(11)2/h3,8H,1,4-7H2,2H3,(H,10,12)
InChIKeyJCUKGYHSPDFIEL-UHFFFAOYSA-N
XLogP1.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(Piperidin-1-yl)prop-2-enamide
CID 23034650
1,2-Dihydropyridazine-3,6-dione;1,1-dimethylpiperidin-1-ium
CID 67360795
N'-hexyl-N-propylprop-2-enehydrazide
CID 87503961
N-butyl-N'-hexylprop-2-enehydrazide
CID 87504488
Hexyl-dimethyl-(prop-2-enoylamino)azanium bromide
CID 88336049
Dimethyl-pentan-2-yl-(prop-2-enoylamino)azanium chloride
CID 141235293
ethane;1-[(3R)-3-hydrazinylpiperidin-1-yl]prop-2-en-1-one
CID 144847050
1-[(3R)-3-(2-methylhydrazinyl)piperidin-1-yl]prop-2-en-1-one
CID 147301003
N',N'-dibutylprop-2-enehydrazide
CID 150447557
N',N'-dihexylprop-2-enehydrazide
CID 151750008
N',N'-di(propan-2-yl)prop-2-enehydrazide
CID 152617052
N-piperidin-1-ylbut-2-enamide
CID 153739102

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-1-yl)prop-2-enamide?
The IUPAC name of N-(2-methylpiperidin-1-yl)prop-2-enamide (CID 156540718) is N-(2-methylpiperidin-1-yl)prop-2-enamide.
What is the SMILES notation for N-(2-methylpiperidin-1-yl)prop-2-enamide?
The canonical SMILES for N-(2-methylpiperidin-1-yl)prop-2-enamide is C=CC(=O)NN1CCCCC1C.
What is the InChIKey of N-(2-methylpiperidin-1-yl)prop-2-enamide?
The InChIKey is JCUKGYHSPDFIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-9(12)10-11-7-5-4-6-8(11)2/h3,8H,1,4-7H2,2H3,(H,10,12).
What are the key properties of N-(2-methylpiperidin-1-yl)prop-2-enamide?
N-(2-methylpiperidin-1-yl)prop-2-enamide has a molecular weight of 168.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-1-yl)prop-2-enamide is sourced from PubChem (CID 156540718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).