1-[(3R)-3-(2-methylhydrazinyl)piperidin-1-yl]prop-2-en-1-one

C9H17N3O — CID 147301003

IUPAC1-[(3R)-3-(2-methylhydrazinyl)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H](NNC)C1
InChIInChI=1S/C9H17N3O/c1-3-9(13)12-6-4-5-8(7-12)11-10-2/h3,8,10-11H,1,4-7H2,2H3/t8-/m1/s1
InChIKeyCWBVGBQAWTVAOW-MRVPVSSYSA-N
MW183.25 g/mol
LogP-0.11
Rot. Bonds3

About 1-[(3R)-3-(2-methylhydrazinyl)piperidin-1-yl]prop-2-en-1-one

1-[(3R)-3-(2-methylhydrazinyl)piperidin-1-yl]prop-2-en-1-one (PubChem CID 147301003) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[(3R)-3-(2-methylhydrazinyl)piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(2-methylhydrazinyl)piperidin-1-yl]prop-2-en-1-one
PubChem CID147301003
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-[(3R)-3-(2-methylhydrazinyl)piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H](NNC)C1
InChIInChI=1S/C9H17N3O/c1-3-9(13)12-6-4-5-8(7-12)11-10-2/h3,8,10-11H,1,4-7H2,2H3/t8-/m1/s1
InChIKeyCWBVGBQAWTVAOW-MRVPVSSYSA-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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydrazinylpentan-2-yl)prop-2-enamide
CID 21689825
N-(1-Acryloylpiperidin-3-yl)acetamide
CID 60949044
N-(1-ethylpiperidin-3-yl)prop-2-enamide
CID 61170396
N-(1-methylpiperidin-3-yl)prop-2-enamide
CID 61211819
1-(3-Aminopiperidin-1-yl)prop-2-en-1-one
CID 61297569
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-(1-propan-2-ylpiperidin-3-yl)prop-2-enamide
CID 90443192
(S)-1-(3-Aminopiperidin-1-yl)prop-2-en-1-one
CID 93674638
(R)-1-(3-Aminopiperidin-1-yl)prop-2-en-1-one
CID 93674639
1-[(3R)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 94475894
1-[(3S)-3-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 94475895

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2-methylhydrazinyl)piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[(3R)-3-(2-methylhydrazinyl)piperidin-1-yl]prop-2-en-1-one (CID 147301003) is 1-[(3R)-3-(2-methylhydrazinyl)piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(3R)-3-(2-methylhydrazinyl)piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(3R)-3-(2-methylhydrazinyl)piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC[C@@H](NNC)C1.
What is the InChIKey of 1-[(3R)-3-(2-methylhydrazinyl)piperidin-1-yl]prop-2-en-1-one?
The InChIKey is CWBVGBQAWTVAOW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-9(13)12-6-4-5-8(7-12)11-10-2/h3,8,10-11H,1,4-7H2,2H3/t8-/m1/s1.
What are the key properties of 1-[(3R)-3-(2-methylhydrazinyl)piperidin-1-yl]prop-2-en-1-one?
1-[(3R)-3-(2-methylhydrazinyl)piperidin-1-yl]prop-2-en-1-one 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 1-[(3R)-3-(2-methylhydrazinyl)piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 147301003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).