1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid

C12H22N2O3 — CID 107069454

IUPAC1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)CCN(C)C)C1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-9-5-4-7-14(11(9)12(16)17)10(15)6-8-13(2)3/h9,11H,4-8H2,1-3H3,(H,16,17)
InChIKeyZPNAMXDXPYXIAT-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.65
Rot. Bonds4

About 1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid

1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid (PubChem CID 107069454) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
PubChem CID107069454
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)CCN(C)C)C1C(=O)O
InChIInChI=1S/C12H22N2O3/c1-9-5-4-7-14(11(9)12(16)17)10(15)6-8-13(2)3/h9,11H,4-8H2,1-3H3,(H,16,17)
InChIKeyZPNAMXDXPYXIAT-UHFFFAOYSA-N
XLogP0.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069695
3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 107068807
1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071482
3-methyl-1-[2-(propan-2-ylamino)acetyl]piperidine-2-carboxylic acid
CID 107068836
1-[cyclopentylmethyl(methyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071655
1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071301
1-[cyclopentyl(methyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071305
1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782672
1-[2-(1-aminocyclohexyl)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107068866
3-methyl-1-[methyl(pent-4-enyl)carbamoyl]piperidine-2-carboxylic acid
CID 107071903
(2R,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 163339159
1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107273461

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid (CID 107069454) is 1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid is CC1CCCN(C(=O)CCN(C)C)C1C(=O)O.
What is the InChIKey of 1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid?
The InChIKey is ZPNAMXDXPYXIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-5-4-7-14(11(9)12(16)17)10(15)6-8-13(2)3/h9,11H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid?
1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107069454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).