3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid

C15H26N2O3 — CID 107068807

IUPAC3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)CCC2CCNCC2)C1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-11-3-2-10-17(14(11)15(19)20)13(18)5-4-12-6-8-16-9-7-12/h11-12,14,16H,2-10H2,1H3,(H,19,20)
InChIKeyPZUBJNKWVCIVHS-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds4

About 3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid

3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid (PubChem CID 107068807) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid
PubChem CID107068807
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)CCC2CCNCC2)C1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-11-3-2-10-17(14(11)15(19)20)13(18)5-4-12-6-8-16-9-7-12/h11-12,14,16H,2-10H2,1H3,(H,19,20)
InChIKeyPZUBJNKWVCIVHS-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 124696237
1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 62210226
1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 62210229
1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069695
1-(3-piperidin-4-ylpropanoyl)azepane-2-carboxylic acid
CID 64564068
1-[3-(dimethylamino)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069454
1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 124689756
2-(3-piperidin-4-ylpropanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895645
1-[2-(2,2-dimethylpropanoylamino)acetyl]-3-methylpiperidine-2-carboxylic acid
CID 107069679
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62479215
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-piperidin-4-ylpropan-1-one
CID 79938269
(2R,3R)-1-(3-cyclopropylpropanoyl)-2-methylpiperidine-3-carboxylic acid
CID 122115908

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid (CID 107068807) is 3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid is CC1CCCN(C(=O)CCC2CCNCC2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid?
The InChIKey is PZUBJNKWVCIVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-3-2-10-17(14(11)15(19)20)13(18)5-4-12-6-8-16-9-7-12/h11-12,14,16H,2-10H2,1H3,(H,19,20).
What are the key properties of 3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid?
3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-piperidin-4-ylpropanoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 107068807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).