4-methyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]piperidine-2-carboxylic acid

C15H27N3O3 — CID 114425707

IUPAC4-methyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N(C)CC2CCCN2C)C(C(=O)O)C1
InChIInChI=1S/C15H27N3O3/c1-11-6-8-18(13(9-11)14(19)20)15(21)17(3)10-12-5-4-7-16(12)2/h11-13H,4-10H2,1-3H3,(H,19,20)
InChIKeyREHJQGITDODFSU-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.32
Rot. Bonds3

About 4-methyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]piperidine-2-carboxylic acid

4-methyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]piperidine-2-carboxylic acid (PubChem CID 114425707) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-methyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]piperidine-2-carboxylic acid
PubChem CID114425707
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name4-methyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N(C)CC2CCCN2C)C(C(=O)O)C1
InChIInChI=1S/C15H27N3O3/c1-11-6-8-18(13(9-11)14(19)20)15(21)17(3)10-12-5-4-7-16(12)2/h11-13H,4-10H2,1-3H3,(H,19,20)
InChIKeyREHJQGITDODFSU-UHFFFAOYSA-N
XLogP1.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxypropyl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425523
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425406
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79315373
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79312888
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]piperazine-1-carboxamide
CID 79314035
2-[1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]azetidin-3-yl]acetic acid
CID 79320053
1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea
CID 116656611
3-methyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]butanoic acid
CID 79314030
2-amino-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 121226107
1-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425451
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 79318444

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]piperidine-2-carboxylic acid (CID 114425707) is 4-methyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]piperidine-2-carboxylic acid is CC1CCN(C(=O)N(C)CC2CCCN2C)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is REHJQGITDODFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-6-8-18(13(9-11)14(19)20)15(21)17(3)10-12-5-4-7-16(12)2/h11-13H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 4-methyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]piperidine-2-carboxylic acid?
4-methyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114425707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).