4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid

C14H25N3O4 — CID 106917346

IUPAC4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCNC(=O)C(C)CN(C)C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-10(11(18)15-3)9-16(4)13(21)17-7-5-14(2,6-8-17)12(19)20/h10H,5-9H2,1-4H3,(H,15,18)(H,19,20)
InChIKeyZPHUJMQONBXXOU-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.61
Rot. Bonds4

About 4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid

4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 106917346) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID106917346
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCNC(=O)C(C)CN(C)C(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C14H25N3O4/c1-10(11(18)15-3)9-16(4)13(21)17-7-5-14(2,6-8-17)12(19)20/h10H,5-9H2,1-4H3,(H,15,18)(H,19,20)
InChIKeyZPHUJMQONBXXOU-UHFFFAOYSA-N
XLogP0.61
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(dimethylamino)propan-2-ylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 82950465
N,3-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 106915097
1-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124064
4-methyl-1-[2-(methylamino)acetyl]piperidine-4-carboxylic acid
CID 63123860
1-[ethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55179110
4-methyl-1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 115986555
4-hydroxy-N-(2-hydroxypropyl)-N,4-dimethylpiperidine-1-carboxamide
CID 163257337
1-[butan-2-yl(ethyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55179302
1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149285
4-methyl-1-[methyl(pyridin-4-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 63123824
4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid
CID 63127367
1-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclobutane-1-carboxamide
CID 106915391

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid (CID 106917346) is 4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid is CNC(=O)C(C)CN(C)C(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is ZPHUJMQONBXXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-10(11(18)15-3)9-16(4)13(21)17-7-5-14(2,6-8-17)12(19)20/h10H,5-9H2,1-4H3,(H,15,18)(H,19,20).
What are the key properties of 4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid?
4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106917346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).