1-(2-acetamidoethyl)-5-(3-methylbutylamino)piperidine-3-carboxylic acid

C15H29N3O3 — CID 83996201

IUPAC1-(2-acetamidoethyl)-5-(3-methylbutylamino)piperidine-3-carboxylic acid
SMILESCC(=O)NCCN1CC(NCCC(C)C)CC(C(=O)O)C1
InChIInChI=1S/C15H29N3O3/c1-11(2)4-5-17-14-8-13(15(20)21)9-18(10-14)7-6-16-12(3)19/h11,13-14,17H,4-10H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyVFRDEZPGOAWSEA-UHFFFAOYSA-N
MW299.41 g/mol
LogP0.53
Rot. Bonds8

About 1-(2-acetamidoethyl)-5-(3-methylbutylamino)piperidine-3-carboxylic acid

1-(2-acetamidoethyl)-5-(3-methylbutylamino)piperidine-3-carboxylic acid (PubChem CID 83996201) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-(2-acetamidoethyl)-5-(3-methylbutylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-acetamidoethyl)-5-(3-methylbutylamino)piperidine-3-carboxylic acid
PubChem CID83996201
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name1-(2-acetamidoethyl)-5-(3-methylbutylamino)piperidine-3-carboxylic acid
SMILESCC(=O)NCCN1CC(NCCC(C)C)CC(C(=O)O)C1
InChIInChI=1S/C15H29N3O3/c1-11(2)4-5-17-14-8-13(15(20)21)9-18(10-14)7-6-16-12(3)19/h11,13-14,17H,4-10H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyVFRDEZPGOAWSEA-UHFFFAOYSA-N
XLogP0.53
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid
CID 83993434
1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid
CID 83999658
1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid
CID 112544888
N-[2-[3-ethyl-5-(2-methylpropylamino)piperidin-1-yl]ethyl]acetamide
CID 83994814
1-(2-acetamidoethyl)pyrrolidine-3-carboxylic acid
CID 22322840
methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate
CID 83995596
1-(2-acetamidoethyl)piperidine-3-carboxylic acid
CID 43385924
3-[3-methyl-5-(3-methylbutylamino)piperidin-1-yl]propanoic acid
CID 83996058
N-[2-[3-acetamido-5-(1-hydroxyethyl)piperidin-1-yl]ethyl]acetamide
CID 112542079
N-[2-[3-methyl-5-(methylamino)piperidin-1-yl]ethyl]acetamide
CID 83990134
N-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]acetamide
CID 106672120
N-[2-(3,4-dimethylpyrrolidin-1-yl)ethyl]acetamide
CID 126999485

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamidoethyl)-5-(3-methylbutylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-acetamidoethyl)-5-(3-methylbutylamino)piperidine-3-carboxylic acid (CID 83996201) is 1-(2-acetamidoethyl)-5-(3-methylbutylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-acetamidoethyl)-5-(3-methylbutylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-acetamidoethyl)-5-(3-methylbutylamino)piperidine-3-carboxylic acid is CC(=O)NCCN1CC(NCCC(C)C)CC(C(=O)O)C1.
What is the InChIKey of 1-(2-acetamidoethyl)-5-(3-methylbutylamino)piperidine-3-carboxylic acid?
The InChIKey is VFRDEZPGOAWSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-11(2)4-5-17-14-8-13(15(20)21)9-18(10-14)7-6-16-12(3)19/h11,13-14,17H,4-10H2,1-3H3,(H,16,19)(H,20,21).
What are the key properties of 1-(2-acetamidoethyl)-5-(3-methylbutylamino)piperidine-3-carboxylic acid?
1-(2-acetamidoethyl)-5-(3-methylbutylamino)piperidine-3-carboxylic acid has a molecular weight of 299.41 g/mol, XLogP of 0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamidoethyl)-5-(3-methylbutylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83996201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).