2-(3-methylpiperidin-1-yl)prop-2-enamide

C9H16N2O — CID 156540715

IUPAC2-(3-methylpiperidin-1-yl)prop-2-enamide
SMILESC=C(C(N)=O)N1CCCC(C)C1
InChIInChI=1S/C9H16N2O/c1-7-4-3-5-11(6-7)8(2)9(10)12/h7H,2-6H2,1H3,(H2,10,12)
InChIKeyDUBMWOGPZHALHA-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.72
Rot. Bonds2

About 2-(3-methylpiperidin-1-yl)prop-2-enamide

2-(3-methylpiperidin-1-yl)prop-2-enamide (PubChem CID 156540715) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)prop-2-enamide.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)prop-2-enamide
PubChem CID156540715
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(3-methylpiperidin-1-yl)prop-2-enamide
SMILESC=C(C(N)=O)N1CCCC(C)C1
InChIInChI=1S/C9H16N2O/c1-7-4-3-5-11(6-7)8(2)9(10)12/h7H,2-6H2,1H3,(H2,10,12)
InChIKeyDUBMWOGPZHALHA-UHFFFAOYSA-N
XLogP0.72
TPSA46.33 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 ≤ 50.72
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)prop-2-enamide?
The IUPAC name of 2-(3-methylpiperidin-1-yl)prop-2-enamide (CID 156540715) is 2-(3-methylpiperidin-1-yl)prop-2-enamide.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)prop-2-enamide?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)prop-2-enamide is C=C(C(N)=O)N1CCCC(C)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)prop-2-enamide?
The InChIKey is DUBMWOGPZHALHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-4-3-5-11(6-7)8(2)9(10)12/h7H,2-6H2,1H3,(H2,10,12).
What are the key properties of 2-(3-methylpiperidin-1-yl)prop-2-enamide?
2-(3-methylpiperidin-1-yl)prop-2-enamide has a molecular weight of 168.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)prop-2-enamide is sourced from PubChem (CID 156540715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).