4-methyl-1-[(2R)-2-pyrrol-1-ylpentanoyl]piperidine-4-carboxylic acid

C16H24N2O3 — CID 126446981

IUPAC4-methyl-1-[(2R)-2-pyrrol-1-ylpentanoyl]piperidine-4-carboxylic acid
SMILESCCC[C@H](C(=O)N1CCC(C)(C(=O)O)CC1)n1cccc1
InChIInChI=1S/C16H24N2O3/c1-3-6-13(17-9-4-5-10-17)14(19)18-11-7-16(2,8-12-18)15(20)21/h4-5,9-10,13H,3,6-8,11-12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyNSGACCUJTDYFHJ-CYBMUJFWSA-N
MW292.38 g/mol
LogP2.54
Rot. Bonds5

About 4-methyl-1-[(2R)-2-pyrrol-1-ylpentanoyl]piperidine-4-carboxylic acid

4-methyl-1-[(2R)-2-pyrrol-1-ylpentanoyl]piperidine-4-carboxylic acid (PubChem CID 126446981) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-methyl-1-[(2R)-2-pyrrol-1-ylpentanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(2R)-2-pyrrol-1-ylpentanoyl]piperidine-4-carboxylic acid
PubChem CID126446981
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-methyl-1-[(2R)-2-pyrrol-1-ylpentanoyl]piperidine-4-carboxylic acid
SMILESCCC[C@H](C(=O)N1CCC(C)(C(=O)O)CC1)n1cccc1
InChIInChI=1S/C16H24N2O3/c1-3-6-13(17-9-4-5-10-17)14(19)18-11-7-16(2,8-12-18)15(20)21/h4-5,9-10,13H,3,6-8,11-12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyNSGACCUJTDYFHJ-CYBMUJFWSA-N
XLogP2.54
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)-2-pyrrol-1-ylpentan-1-one
CID 56748789
2-[2-oxo-8-(2-pyrrol-1-ylpentanoyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 70758248
1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-4-carboxylic acid
CID 79023198
1-(2,2-difluoroacetyl)-4-methylpiperidine-4-carboxylic acid
CID 103513272
4-methyl-1-pentanoylpiperidine-4-carboxylic acid
CID 63123206
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123868
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179
1-(2-ethylhexanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146734
4-methyl-1-propylpiperidine-4-carboxylic acid
CID 23389278
1-(2-ethyloxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 114105213
4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid
CID 63123860
1-(2-acetamidopropanoyl)-4-methylpiperidine-4-carboxylic acid
CID 55179299

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2R)-2-pyrrol-1-ylpentanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[(2R)-2-pyrrol-1-ylpentanoyl]piperidine-4-carboxylic acid (CID 126446981) is 4-methyl-1-[(2R)-2-pyrrol-1-ylpentanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(2R)-2-pyrrol-1-ylpentanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(2R)-2-pyrrol-1-ylpentanoyl]piperidine-4-carboxylic acid is CCC[C@H](C(=O)N1CCC(C)(C(=O)O)CC1)n1cccc1.
What is the InChIKey of 4-methyl-1-[(2R)-2-pyrrol-1-ylpentanoyl]piperidine-4-carboxylic acid?
The InChIKey is NSGACCUJTDYFHJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-6-13(17-9-4-5-10-17)14(19)18-11-7-16(2,8-12-18)15(20)21/h4-5,9-10,13H,3,6-8,11-12H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 4-methyl-1-[(2R)-2-pyrrol-1-ylpentanoyl]piperidine-4-carboxylic acid?
4-methyl-1-[(2R)-2-pyrrol-1-ylpentanoyl]piperidine-4-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2R)-2-pyrrol-1-ylpentanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 126446981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).