1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-methylpiperidine-4-carboxylic acid

C13H25N3O3 — CID 82950465

IUPAC1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC(CN(C)C)NC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C13H25N3O3/c1-10(9-15(3)4)14-12(19)16-7-5-13(2,6-8-16)11(17)18/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyDGBKSFXAPKFWCP-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.83
Rot. Bonds4

About 1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-methylpiperidine-4-carboxylic acid

1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 82950465) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID82950465
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC(CN(C)C)NC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C13H25N3O3/c1-10(9-15(3)4)14-12(19)16-7-5-13(2,6-8-16)11(17)18/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyDGBKSFXAPKFWCP-UHFFFAOYSA-N
XLogP0.83
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]piperidine-1-carboxamide
CID 116657221
1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124044
2-[4-[1-(dimethylamino)propan-2-ylcarbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 82938505
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55176607
4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid
CID 106917346
4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid
CID 63123860
1-(2-acetamidopropanoyl)-4-methylpiperidine-4-carboxylic acid
CID 55179299
1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55179110
4-methyl-1-(prop-2-ynylcarbamoyl)piperidine-4-carboxylic acid
CID 63123476
1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63124361
3-methyl-1-(4-methylpentan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 63136058
1-(but-3-yn-2-ylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114418629

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-methylpiperidine-4-carboxylic acid (CID 82950465) is 1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-methylpiperidine-4-carboxylic acid is CC(CN(C)C)NC(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is DGBKSFXAPKFWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-10(9-15(3)4)14-12(19)16-7-5-13(2,6-8-16)11(17)18/h10H,5-9H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-methylpiperidine-4-carboxylic acid?
1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 82950465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).