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

C16H29N3O3 — CID 83999658

IUPAC1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid
SMILESCC(=O)NCCN1CC(NC2CCCCC2)CC(C(=O)O)C1
InChIInChI=1S/C16H29N3O3/c1-12(20)17-7-8-19-10-13(16(21)22)9-15(11-19)18-14-5-3-2-4-6-14/h13-15,18H,2-11H2,1H3,(H,17,20)(H,21,22)
InChIKeySEJSVTNFUNPCFJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.82
Rot. Bonds6

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

1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid (PubChem CID 83999658) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid
PubChem CID83999658
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid
SMILESCC(=O)NCCN1CC(NC2CCCCC2)CC(C(=O)O)C1
InChIInChI=1S/C16H29N3O3/c1-12(20)17-7-8-19-10-13(16(21)22)9-15(11-19)18-14-5-3-2-4-6-14/h13-15,18H,2-11H2,1H3,(H,17,20)(H,21,22)
InChIKeySEJSVTNFUNPCFJ-UHFFFAOYSA-N
XLogP0.82
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid
CID 83999077
1-(2-acetamidoethyl)-5-(3-methylbutylamino)piperidine-3-carboxylic acid
CID 83996201
1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid
CID 83993434
1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid
CID 83999596
1-(2-acetamidoethyl)piperidine-3-carboxylic acid
CID 43385924
1-(2-acetamidoethyl)pyrrolidine-3-carboxylic acid
CID 22322840
1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid
CID 112544888
N-[2-[3-(cyclohexylmethylamino)piperidin-1-yl]ethyl]acetamide
CID 83998962
5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid
CID 83991941
5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidine-3-carboxylic acid
CID 83999424
N-[2-[3-(cyclopentylmethylamino)-5-ethylpiperidin-1-yl]ethyl]acetamide
CID 83998272
N-[2-[3-methyl-5-(methylamino)piperidin-1-yl]ethyl]acetamide
CID 83990134

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid (CID 83999658) is 1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid is CC(=O)NCCN1CC(NC2CCCCC2)CC(C(=O)O)C1.
What is the InChIKey of 1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid?
The InChIKey is SEJSVTNFUNPCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-12(20)17-7-8-19-10-13(16(21)22)9-15(11-19)18-14-5-3-2-4-6-14/h13-15,18H,2-11H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid?
1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid has a molecular weight of 311.43 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83999658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).