2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl-prop-2-enylamino]acetic acid

C14H25N3O3 — CID 107164806

IUPAC2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C14H25N3O3/c1-4-7-17(10-12(18)19)13(20)15-11-14(2)5-8-16(3)9-6-14/h4H,1,5-11H2,2-3H3,(H,15,20)(H,18,19)
InChIKeyQVLMKUJJQBHBHU-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.00
Rot. Bonds6

About 2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl-prop-2-enylamino]acetic acid

2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl-prop-2-enylamino]acetic acid (PubChem CID 107164806) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl-prop-2-enylamino]acetic acid
PubChem CID107164806
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)NCC1(C)CCN(C)CC1
InChIInChI=1S/C14H25N3O3/c1-4-7-17(10-12(18)19)13(20)15-11-14(2)5-8-16(3)9-6-14/h4H,1,5-11H2,2-3H3,(H,15,20)(H,18,19)
InChIKeyQVLMKUJJQBHBHU-UHFFFAOYSA-N
XLogP1.00
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl-prop-2-enylamino]acetic acid (CID 107164806) is 2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)NCC1(C)CCN(C)CC1.
What is the InChIKey of 2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl-prop-2-enylamino]acetic acid?
The InChIKey is QVLMKUJJQBHBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-4-7-17(10-12(18)19)13(20)15-11-14(2)5-8-16(3)9-6-14/h4H,1,5-11H2,2-3H3,(H,15,20)(H,18,19).
What are the key properties of 2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl-prop-2-enylamino]acetic acid?
2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl-prop-2-enylamino]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl-prop-2-enylamino]acetic acid is sourced from PubChem (CID 107164806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).