(3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid

C13H24N2O3 — CID 81125361

IUPAC(3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCCC(CC)NC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-3-6-11(4-2)14-13(18)15-8-5-7-10(9-15)12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)/t10-,11?/m0/s1
InChIKeyYZJHLNHYBNGRDI-VUWPPUDQSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds5

About (3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid

(3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 81125361) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID81125361
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid
SMILESCCCC(CC)NC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-3-6-11(4-2)14-13(18)15-8-5-7-10(9-15)12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)/t10-,11?/m0/s1
InChIKeyYZJHLNHYBNGRDI-VUWPPUDQSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(hexan-3-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122518
(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555
1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43533691
(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125514
(3S)-1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104863169
(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120508
N-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 115626438
(3R)-1-(but-3-yn-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104921713
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566036
1-(2-ethylhexylcarbamoyl)piperidine-3-carboxylic acid
CID 107817343
(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
(3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120052

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid (CID 81125361) is (3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid is CCCC(CC)NC(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is YZJHLNHYBNGRDI-VUWPPUDQSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-6-11(4-2)14-13(18)15-8-5-7-10(9-15)12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)/t10-,11?/m0/s1.
What are the key properties of (3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid?
(3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81125361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).