1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid

C14H26N2O3 — CID 122122518

IUPAC1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
SMILESCCCC(CC)NC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-6-12(5-2)15-14(19)16-8-10(3)7-11(9-16)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyQZNWWEFTVUNGRT-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds5

About 1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid

1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122122518) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122122518
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
SMILESCCCC(CC)NC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-6-12(5-2)15-14(19)16-8-10(3)7-11(9-16)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyQZNWWEFTVUNGRT-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(methanesulfonamido)butan-2-ylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124026
(3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125361
5-methyl-1-[[(2S)-1,1,1-trifluorobutan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122102931
5-methyl-1-(3-methylbutan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122121872
5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 122122525
5-methyl-1-(1,1,1-trifluoropropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 122103139
1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid
CID 167134950
5-methyl-1-[(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122102824
5-methyl-1-[(5-oxo-5-propan-2-yloxypentan-2-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122123680
1-[1-(4-ethylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121901
(3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 29057369
5-methyl-1-[(4-methylcyclohexyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122424

Frequently Asked Questions

What is the IUPAC name of 1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid (CID 122122518) is 1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid is CCCC(CC)NC(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is QZNWWEFTVUNGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-6-12(5-2)15-14(19)16-8-10(3)7-11(9-16)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid?
1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122122518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).