1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid

C15H29N3O3 — CID 103189745

IUPAC1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid
SMILESCCN(CC(=O)N1CCC(C(=O)O)CC1)C(C)CN(C)C
InChIInChI=1S/C15H29N3O3/c1-5-17(12(2)10-16(3)4)11-14(19)18-8-6-13(7-9-18)15(20)21/h12-13H,5-11H2,1-4H3,(H,20,21)
InChIKeyMSHKHBNRUDGCLA-UHFFFAOYSA-N
MW299.41 g/mol
LogP0.58
Rot. Bonds7

About 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid

1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid (PubChem CID 103189745) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid
PubChem CID103189745
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid
SMILESCCN(CC(=O)N1CCC(C(=O)O)CC1)C(C)CN(C)C
InChIInChI=1S/C15H29N3O3/c1-5-17(12(2)10-16(3)4)11-14(19)18-8-6-13(7-9-18)15(20)21/h12-13H,5-11H2,1-4H3,(H,20,21)
InChIKeyMSHKHBNRUDGCLA-UHFFFAOYSA-N
XLogP0.58
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[methyl(2-methylpentanoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236201
1-[2-[ethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 55100622
1-[2-[ethyl(propan-2-yl)amino]acetyl]piperidine-4-carbohydrazide
CID 63574205
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
1-[2-[(2-amino-2-oxoethyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 62658956
1-[2-[ethyl(2-methoxyethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 55100766
1-[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 62657828
1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 97324533
1-[2-[2-(cyclopentanecarbonylamino)propanoyl-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119236335
1-[3-(ethylamino)butanoyl]piperidine-4-carboxylic acid
CID 62837825
1-[2-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236385
1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62656849

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid (CID 103189745) is 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid is CCN(CC(=O)N1CCC(C(=O)O)CC1)C(C)CN(C)C.
What is the InChIKey of 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is MSHKHBNRUDGCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-5-17(12(2)10-16(3)4)11-14(19)18-8-6-13(7-9-18)15(20)21/h12-13H,5-11H2,1-4H3,(H,20,21).
What are the key properties of 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid?
1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 299.41 g/mol, XLogP of 0.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(dimethylamino)propan-2-yl-ethylamino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103189745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).