4-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid

C16H28N2O3 — CID 63829636

IUPAC4-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCC2(C)CCCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-3-16(13(19)20)8-10-18(11-9-16)14(21)17-12-15(2)6-4-5-7-15/h3-12H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyXNPYYCRFUKHUMF-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.85
Rot. Bonds4

About 4-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid

4-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 63829636) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID63829636
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCC2(C)CCCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-3-16(13(19)20)8-10-18(11-9-16)14(21)17-12-15(2)6-4-5-7-15/h3-12H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyXNPYYCRFUKHUMF-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid (CID 63829636) is 4-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)NCC2(C)CCCC2)CC1.
What is the InChIKey of 4-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is XNPYYCRFUKHUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-16(13(19)20)8-10-18(11-9-16)14(21)17-12-15(2)6-4-5-7-15/h3-12H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 4-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid?
4-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(1-methylcyclopentyl)methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63829636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).