2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid

C15H28N2O3 — CID 65285664

IUPAC2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)CC1CCCNC1
InChIInChI=1S/C15H28N2O3/c1-11(15(19)20)5-3-6-12(2)17-14(18)9-13-7-4-8-16-10-13/h11-13,16H,3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeySBEWCUCIJFNVAN-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.77
Rot. Bonds8

About 2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid

2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid (PubChem CID 65285664) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid
PubChem CID65285664
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)CC1CCCNC1
InChIInChI=1S/C15H28N2O3/c1-11(15(19)20)5-3-6-12(2)17-14(18)9-13-7-4-8-16-10-13/h11-13,16H,3-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeySBEWCUCIJFNVAN-UHFFFAOYSA-N
XLogP1.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid
CID 65285536
(2S)-3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid
CID 62675980
3-hydroxy-2-[(2-piperidin-3-ylacetyl)amino]propanoic acid
CID 62675458
(2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid
CID 62676165
2-methyl-6-[(2-piperidin-4-ylsulfanylacetyl)amino]heptanoic acid
CID 114627693
2-methyl-5-(piperidine-3-carbonylamino)pentanoic acid
CID 112547799
N-[(2R)-1-hydroxypropan-2-yl]-2-pyrrolidin-3-ylacetamide
CID 107218668
N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide
CID 78953201
N-[1-(4-fluorophenyl)propan-2-yl]-2-piperidin-3-ylacetamide
CID 63010220
2-piperidin-3-yl-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 62676356
N-(4-hydroxybutan-2-yl)-3-piperidin-3-ylpropanamide
CID 83176255
N-ethyl-2-[(2-piperidin-3-ylacetyl)amino]propanamide
CID 62691243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid?
The IUPAC name of 2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid (CID 65285664) is 2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid.
What is the SMILES notation for 2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid?
The canonical SMILES for 2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)CC1CCCNC1.
What is the InChIKey of 2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid?
The InChIKey is SBEWCUCIJFNVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(15(19)20)5-3-6-12(2)17-14(18)9-13-7-4-8-16-10-13/h11-13,16H,3-10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid?
2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-piperidin-3-ylacetyl)amino]heptanoic acid is sourced from PubChem (CID 65285664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).