2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid

C16H28N2O3 — CID 61444100

IUPAC2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCN(CC1CCCCC1)C(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C16H28N2O3/c1-17(12-13-7-3-2-4-8-13)16(21)18-10-6-5-9-14(18)11-15(19)20/h13-14H,2-12H2,1H3,(H,19,20)
InChIKeyVOSXXPMYPIKLGT-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.95
Rot. Bonds4

About 2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid

2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid (PubChem CID 61444100) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
PubChem CID61444100
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCN(CC1CCCCC1)C(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C16H28N2O3/c1-17(12-13-7-3-2-4-8-13)16(21)18-10-6-5-9-14(18)11-15(19)20/h13-14H,2-12H2,1H3,(H,19,20)
InChIKeyVOSXXPMYPIKLGT-UHFFFAOYSA-N
XLogP2.95
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid
CID 64564499
2-[1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]pyrrolidin-2-yl]acetic acid
CID 55257886
2-[1-[2-methoxyethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61428394
N-ethyl-N-methyl-2-(2-oxopropyl)azepane-1-carboxamide
CID 79553142
2-[1-[cyclopropylmethyl(propan-2-yl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 55000168
1-[cyclohexylmethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782013
1-[cyclopentylmethyl(methyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071655
2-[1-[2-[acetyl(methyl)amino]acetyl]piperidin-2-yl]acetic acid
CID 54899944
2-[1-[methyl(3-methylsulfanylpropyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 114237788
2-[1-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]piperidin-2-yl]acetic acid
CID 61196959
1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382649
1-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]piperidine-2-carboxylic acid
CID 63234842

Frequently Asked Questions

What is the IUPAC name of 2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid (CID 61444100) is 2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid is CN(CC1CCCCC1)C(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is VOSXXPMYPIKLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-17(12-13-7-3-2-4-8-13)16(21)18-10-6-5-9-14(18)11-15(19)20/h13-14H,2-12H2,1H3,(H,19,20).
What are the key properties of 2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid?
2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[cyclohexylmethyl(methyl)carbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61444100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).