N-[1-(methylamino)piperidin-3-yl]prop-2-enamide

C9H17N3O — CID 172623689

IUPACN-[1-(methylamino)piperidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCCN(NC)C1
InChIInChI=1S/C9H17N3O/c1-3-9(13)11-8-5-4-6-12(7-8)10-2/h3,8,10H,1,4-7H2,2H3,(H,11,13)
InChIKeyIVBFBBFHBNESFU-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.11
Rot. Bonds3

About N-[1-(methylamino)piperidin-3-yl]prop-2-enamide

N-[1-(methylamino)piperidin-3-yl]prop-2-enamide (PubChem CID 172623689) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[1-(methylamino)piperidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(methylamino)piperidin-3-yl]prop-2-enamide
PubChem CID172623689
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-[1-(methylamino)piperidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCCN(NC)C1
InChIInChI=1S/C9H17N3O/c1-3-9(13)11-8-5-4-6-12(7-8)10-2/h3,8,10H,1,4-7H2,2H3,(H,11,13)
InChIKeyIVBFBBFHBNESFU-UHFFFAOYSA-N
XLogP-0.11
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.11
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-(4-Cyclopentylpiperazin-4-ium-1-yl)prop-2-en-1-one
CID 102365386
N-(5-hydrazinylpentan-2-yl)prop-2-enamide
CID 21689825
N-methyl-N-piperidin-4-ylprop-2-enamide
CID 43602149
N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 43616601
N-(1-propan-2-ylpiperidin-4-yl)prop-2-enamide
CID 43700527
N-(1-Acryloylpiperidin-3-yl)acetamide
CID 60949044
N-(1-ethylpiperidin-4-yl)prop-2-enamide
CID 61040354
N-(1-ethylpiperidin-3-yl)prop-2-enamide
CID 61170396
N-(1-methylpiperidin-3-yl)prop-2-enamide
CID 61211819
N-[(1-methylpiperidin-2-yl)methyl]prop-2-enamide
CID 61808674
1-[3-(Methylamino)piperidin-1-yl]prop-2-en-1-one
CID 62536548
N-piperidin-3-ylprop-2-enamide
CID 63320950

Frequently Asked Questions

What is the IUPAC name of N-[1-(methylamino)piperidin-3-yl]prop-2-enamide?
The IUPAC name of N-[1-(methylamino)piperidin-3-yl]prop-2-enamide (CID 172623689) is N-[1-(methylamino)piperidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[1-(methylamino)piperidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[1-(methylamino)piperidin-3-yl]prop-2-enamide is C=CC(=O)NC1CCCN(NC)C1.
What is the InChIKey of N-[1-(methylamino)piperidin-3-yl]prop-2-enamide?
The InChIKey is IVBFBBFHBNESFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-9(13)11-8-5-4-6-12(7-8)10-2/h3,8,10H,1,4-7H2,2H3,(H,11,13).
What are the key properties of N-[1-(methylamino)piperidin-3-yl]prop-2-enamide?
N-[1-(methylamino)piperidin-3-yl]prop-2-enamide has a molecular weight of 183.25 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylamino)piperidin-3-yl]prop-2-enamide is sourced from PubChem (CID 172623689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).