1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid

C13H23N3O3 — CID 63032128

IUPAC1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCN1CCCC(N(C)C(=O)N2CCC(C(=O)O)C2)C1
InChIInChI=1S/C13H23N3O3/c1-14-6-3-4-11(9-14)15(2)13(19)16-7-5-10(8-16)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyODCGKMPCDHKIKF-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.54
Rot. Bonds2

About 1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63032128) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63032128
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCN1CCCC(N(C)C(=O)N2CCC(C(=O)O)C2)C1
InChIInChI=1S/C13H23N3O3/c1-14-6-3-4-11(9-14)15(2)13(19)16-7-5-10(8-16)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyODCGKMPCDHKIKF-UHFFFAOYSA-N
XLogP0.54
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032080
(3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126254
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79315373
2-[methyl-(1-methylpiperidin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978705
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
(3S)-1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 67923100
1-methylpiperidine-3-carboxylic acid;hydrochloride
CID 12514711
N-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1-prop-2-enoylazetidine-3-carboxamide
CID 167892342
N-methyl-N-(1-methylpiperidin-3-yl)-2-oxopropanamide
CID 115175567
3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
CID 115161473
2,2-dimethyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-3-oxopropanoic acid
CID 82820537
2-methyl-4-[methyl-(1-methylpiperidin-3-yl)amino]-4-oxobutanoic acid
CID 115165054

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 63032128) is 1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is CN1CCCC(N(C)C(=O)N2CCC(C(=O)O)C2)C1.
What is the InChIKey of 1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ODCGKMPCDHKIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-14-6-3-4-11(9-14)15(2)13(19)16-7-5-10(8-16)12(17)18/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).