1-(2-adamantylmethylcarbamoyl)piperidine-4-carboxylic acid

C18H28N2O3 — CID 122008376

IUPAC1-(2-adamantylmethylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCC2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C18H28N2O3/c21-17(22)13-1-3-20(4-2-13)18(23)19-10-16-14-6-11-5-12(8-14)9-15(16)7-11/h11-16H,1-10H2,(H,19,23)(H,21,22)
InChIKeyYHWNXKXEKHHBJM-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.56
Rot. Bonds3

About 1-(2-adamantylmethylcarbamoyl)piperidine-4-carboxylic acid

1-(2-adamantylmethylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 122008376) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-(2-adamantylmethylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-adamantylmethylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID122008376
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-(2-adamantylmethylcarbamoyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCC2C3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C18H28N2O3/c21-17(22)13-1-3-20(4-2-13)18(23)19-10-16-14-6-11-5-12(8-14)9-15(16)7-11/h11-16H,1-10H2,(H,19,23)(H,21,22)
InChIKeyYHWNXKXEKHHBJM-UHFFFAOYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 43318538
1-(2-chloroethylcarbamoyl)piperidine-4-carboxylic acid
CID 16769941
1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122015491
1-[(2-propan-2-yloxan-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122005273
4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525376
1-(3-methylsulfanylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 63959215
1-(3-cyclopentylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 106005313
1-(2-propan-2-yloxyethylcarbamoyl)piperidine-4-carboxylic acid
CID 113450641
1-(3-ethoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 43318547
1-[2-(trifluoromethylsulfanyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106431697
piperidine-1,4-dicarboxylic acid
CID 18542445
N-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide
CID 43834019

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantylmethylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-adamantylmethylcarbamoyl)piperidine-4-carboxylic acid (CID 122008376) is 1-(2-adamantylmethylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-adamantylmethylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-adamantylmethylcarbamoyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCC2C3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of 1-(2-adamantylmethylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is YHWNXKXEKHHBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c21-17(22)13-1-3-20(4-2-13)18(23)19-10-16-14-6-11-5-12(8-14)9-15(16)7-11/h11-16H,1-10H2,(H,19,23)(H,21,22).
What are the key properties of 1-(2-adamantylmethylcarbamoyl)piperidine-4-carboxylic acid?
1-(2-adamantylmethylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 320.43 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantylmethylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 122008376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).