4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid

C16H30N2O3 — CID 102907114

IUPAC4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NCC(C(C)C)C(C)C)C(C(=O)O)C1
InChIInChI=1S/C16H30N2O3/c1-10(2)13(11(3)4)9-17-16(21)18-7-6-12(5)8-14(18)15(19)20/h10-14H,6-9H2,1-5H3,(H,17,21)(H,19,20)
InChIKeySKVAYSCUKUOHIN-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.81
Rot. Bonds5

About 4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid

4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 102907114) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID102907114
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NCC(C(C)C)C(C)C)C(C(=O)O)C1
InChIInChI=1S/C16H30N2O3/c1-10(2)13(11(3)4)9-17-16(21)18-7-6-12(5)8-14(18)15(19)20/h10-14H,6-9H2,1-5H3,(H,17,21)(H,19,20)
InChIKeySKVAYSCUKUOHIN-UHFFFAOYSA-N
XLogP2.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxypropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 102699853
4-methyl-1-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]piperidine-2-carboxylic acid
CID 114425882
4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022
4-methyl-1-(pentylcarbamoyl)piperidine-2-carboxylic acid
CID 114425136
1-(3,3-dimethylbutylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114426023
1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425520
1-(cyclohex-3-en-1-ylmethylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425494
4-methyl-1-(2-piperazin-1-ylethylcarbamoyl)piperidine-2-carboxylic acid
CID 114425328
1-[(3,5-dimethylcyclohexyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425643
1-[(4-fluorophenyl)methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425178
1-[[2-(2-methoxyethylamino)-2-oxoethyl]carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425883
4-methyl-1-(2-prop-2-enoxyethylcarbamoyl)piperidine-2-carboxylic acid
CID 114265002

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid (CID 102907114) is 4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid is CC1CCN(C(=O)NCC(C(C)C)C(C)C)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is SKVAYSCUKUOHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-10(2)13(11(3)4)9-17-16(21)18-7-6-12(5)8-14(18)15(19)20/h10-14H,6-9H2,1-5H3,(H,17,21)(H,19,20).
What are the key properties of 4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid?
4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 102907114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).