(3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid

C14H26N2O3 — CID 113287747

IUPAC(3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(C)CCCCNC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-11(2)6-3-4-8-15-14(19)16-9-5-7-12(10-16)13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)/t12-/m1/s1
InChIKeyJXCQQUFMQHRJNO-GFCCVEGCSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds6

About (3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid

(3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 113287747) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID113287747
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC(C)CCCCNC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-11(2)6-3-4-8-15-14(19)16-9-5-7-12(10-16)13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)/t12-/m1/s1
InChIKeyJXCQQUFMQHRJNO-GFCCVEGCSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[2-(3-methylbutoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125959
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
(3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 106239155
(3R)-1-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]piperidine-3-carboxylic acid
CID 106039371
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
(3R)-1-(pent-4-ynylcarbamoyl)piperidine-3-carboxylic acid
CID 106222833
1-(3-methylsulfinylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 113490689
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
(3S)-1-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]piperidine-3-carboxylic acid
CID 102907206
(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 81120213
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83113986

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid (CID 113287747) is (3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid is CC(C)CCCCNC(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is JXCQQUFMQHRJNO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(2)6-3-4-8-15-14(19)16-9-5-7-12(10-16)13(17)18/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)/t12-/m1/s1.
What are the key properties of (3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid?
(3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 113287747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).