2-amino-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one

C11H21N3O — CID 23590684

IUPAC2-amino-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one
SMILESC=C(C)NCC(N)C(=O)N1CCCCC1
InChIInChI=1S/C11H21N3O/c1-9(2)13-8-10(12)11(15)14-6-4-3-5-7-14/h10,13H,1,3-8,12H2,2H3
InChIKeyVYOJKXLFPQQXEZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.45
Rot. Bonds4

About 2-amino-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one

2-amino-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one (PubChem CID 23590684) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-amino-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one.

Molecular Properties

Compound Name2-amino-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one
PubChem CID23590684
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-amino-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one
SMILESC=C(C)NCC(N)C(=O)N1CCCCC1
InChIInChI=1S/C11H21N3O/c1-9(2)13-8-10(12)11(15)14-6-4-3-5-7-14/h10,13H,1,3-8,12H2,2H3
InChIKeyVYOJKXLFPQQXEZ-UHFFFAOYSA-N
XLogP0.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one
CID 23590696
2-amino-N-(1-methyl-4-piperidyl)propanamide
CID 43373576
2-amino-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 43711341
(2S)-2-amino-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 61145692
(S)-2-Amino-N-(1-methyl-piperidin-4-yl)-propionamide
CID 61146329
N-(1-but-1-en-2-ylpiperidin-4-yl)acetamide
CID 89357505
N-(1-but-2-en-2-ylpiperidin-4-yl)butanamide
CID 91212854
2,2-Dimethyl-1-[4-(prop-1-en-2-ylamino)piperidin-1-yl]propan-1-one
CID 117797849
2,2-dimethyl-N-(3-piperidin-1-ylprop-1-en-2-yl)propanamide
CID 118358852
2-Amino-1-[4-(ethylamino)piperidin-1-yl]propan-1-one
CID 123210794
2-(2,6-dimethylpiperidin-1-yl)-N-prop-1-en-2-ylacetamide
CID 123318405
(2S)-2-amino-N-methyl-N-piperidin-4-ylpropanamide
CID 130656898

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one?
The IUPAC name of 2-amino-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one (CID 23590684) is 2-amino-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one.
What is the SMILES notation for 2-amino-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one?
The canonical SMILES for 2-amino-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one is C=C(C)NCC(N)C(=O)N1CCCCC1.
What is the InChIKey of 2-amino-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one?
The InChIKey is VYOJKXLFPQQXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)13-8-10(12)11(15)14-6-4-3-5-7-14/h10,13H,1,3-8,12H2,2H3.
What are the key properties of 2-amino-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one?
2-amino-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one has a molecular weight of 211.31 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-piperidin-1-yl-3-(prop-1-en-2-ylamino)propan-1-one is sourced from PubChem (CID 23590684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).