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

C15H26N2O3 — CID 119907812

IUPAC1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)NCC1CCCCC1
InChIInChI=1S/C15H26N2O3/c18-14(16-10-12-4-2-1-3-5-12)11-17-8-6-13(7-9-17)15(19)20/h12-13H,1-11H2,(H,16,18)(H,19,20)
InChIKeyJXEVZXLWSLUSEK-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds5

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

1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid (PubChem CID 119907812) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
PubChem CID119907812
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)NCC1CCCCC1
InChIInChI=1S/C15H26N2O3/c18-14(16-10-12-4-2-1-3-5-12)11-17-8-6-13(7-9-17)15(19)20/h12-13H,1-11H2,(H,16,18)(H,19,20)
InChIKeyJXEVZXLWSLUSEK-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 86908445
N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 1459544
N-benzyl-1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 86909124
1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908022
4-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79525940
1-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 39243400
1-[2-(3-cyclohexyloxypropylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908413
2-(4-benzylpiperazin-1-yl)-N-(cyclohexylmethyl)acetamide
CID 31127901
2-[acetyl-[(4S)-1-[2-(cyclohexylmethylamino)-2-oxoethyl]azepan-4-yl]amino]acetic acid
CID 129325101
N-(cyclobutylmethyl)-2-piperazin-1-ylacetamide
CID 43298878
N-(cyclobutylmethyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111334071
1-[2-(cyclopentylmethylamino)-2-oxoacetyl]piperidine-4-carboxylic acid
CID 138480085

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid (CID 119907812) is 1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid is O=C(CN1CCC(C(=O)O)CC1)NCC1CCCCC1.
What is the InChIKey of 1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
The InChIKey is JXEVZXLWSLUSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(16-10-12-4-2-1-3-5-12)11-17-8-6-13(7-9-17)15(19)20/h12-13H,1-11H2,(H,16,18)(H,19,20).
What are the key properties of 1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid?
1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119907812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).