1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid

C16H28N2O3 — CID 119908022

IUPAC1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)NC1CCCCCCC1
InChIInChI=1S/C16H28N2O3/c19-15(17-14-6-4-2-1-3-5-7-14)12-18-10-8-13(9-11-18)16(20)21/h13-14H,1-12H2,(H,17,19)(H,20,21)
InChIKeyNSMVLGITLLOYGL-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.01
Rot. Bonds4

About 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid

1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid (PubChem CID 119908022) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
PubChem CID119908022
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)NC1CCCCCCC1
InChIInChI=1S/C16H28N2O3/c19-15(17-14-6-4-2-1-3-5-7-14)12-18-10-8-13(9-11-18)16(20)21/h13-14H,1-12H2,(H,17,19)(H,20,21)
InChIKeyNSMVLGITLLOYGL-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39246836
1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904852
1-[2-(cyclopropylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030850
N-cyclohexyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968203
N-cyclohexyl-2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 166605706
1-[2-(cyclohexylamino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134327
1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907812
3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 43522437
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 79327663
N-cyclopropyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 134058309
N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163350854
4-[2-(cyclohexylamino)-2-oxoethyl]piperazine-1-carbothioic S-acid
CID 132941398

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid (CID 119908022) is 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid is O=C(CN1CCC(C(=O)O)CC1)NC1CCCCCCC1.
What is the InChIKey of 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
The InChIKey is NSMVLGITLLOYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c19-15(17-14-6-4-2-1-3-5-7-14)12-18-10-8-13(9-11-18)16(20)21/h13-14H,1-12H2,(H,17,19)(H,20,21).
What are the key properties of 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119908022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).