2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid

C16H30N2O3 — CID 106744109

IUPAC2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC(C)CCCC(C)NC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C16H30N2O3/c1-11(2)6-5-7-12(3)17-16(21)18-9-8-14(15(19)20)10-13(18)4/h11-14H,5-10H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyDQFZVYJHHNFKNL-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.10
Rot. Bonds6

About 2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid

2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 106744109) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID106744109
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC(C)CCCC(C)NC(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C16H30N2O3/c1-11(2)6-5-7-12(3)17-16(21)18-9-8-14(15(19)20)10-13(18)4/h11-14H,5-10H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyDQFZVYJHHNFKNL-UHFFFAOYSA-N
XLogP3.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid (CID 106744109) is 2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid is CC(C)CCCC(C)NC(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is DQFZVYJHHNFKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(2)6-5-7-12(3)17-16(21)18-9-8-14(15(19)20)10-13(18)4/h11-14H,5-10H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid?
2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106744109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).