3-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]piperidine-3-carboxylic acid

C15H22N2O4 — CID 63136798

IUPAC3-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1occc1CN(C)C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C15H22N2O4/c1-11-12(5-8-21-11)9-16(3)14(20)17-7-4-6-15(2,10-17)13(18)19/h5,8H,4,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyWPRFVYREEKVITL-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.33
Rot. Bonds3

About 3-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]piperidine-3-carboxylic acid

3-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 63136798) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID63136798
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1occc1CN(C)C(=O)N1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C15H22N2O4/c1-11-12(5-8-21-11)9-16(3)14(20)17-7-4-6-15(2,10-17)13(18)19/h5,8H,4,6-7,9-10H2,1-3H3,(H,18,19)
InChIKeyWPRFVYREEKVITL-UHFFFAOYSA-N
XLogP2.33
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135703
3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 63136057
1-[(2-fluorophenyl)methyl-methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149250
1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63136050
1-[[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61424074
3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63135754
1-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136352
1-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 55055654
1-(furan-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133574
1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149285
3-cyclopentyl-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
CID 47385742
1-[4-(dimethylamino)benzoyl]-3-methylpiperidine-3-carboxylic acid
CID 63133492

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]piperidine-3-carboxylic acid (CID 63136798) is 3-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]piperidine-3-carboxylic acid is Cc1occc1CN(C)C(=O)N1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is WPRFVYREEKVITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11-12(5-8-21-11)9-16(3)14(20)17-7-4-6-15(2,10-17)13(18)19/h5,8H,4,6-7,9-10H2,1-3H3,(H,18,19).
What are the key properties of 3-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]piperidine-3-carboxylic acid?
3-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63136798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).