1,2,2-trimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid

C16H27NO3 — CID 3655007

IUPAC1,2,2-trimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1CCN(C(=O)C2CCC(C)(C(=O)O)C2(C)C)CC1
InChIInChI=1S/C16H27NO3/c1-11-6-9-17(10-7-11)13(18)12-5-8-16(4,14(19)20)15(12,2)3/h11-12H,5-10H2,1-4H3,(H,19,20)
InChIKeyFULGHXDFJCSQRU-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.77
Rot. Bonds2

About 1,2,2-trimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid

1,2,2-trimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 3655007) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1,2,2-trimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1,2,2-trimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID3655007
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1,2,2-trimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1CCN(C(=O)C2CCC(C)(C(=O)O)C2(C)C)CC1
InChIInChI=1S/C16H27NO3/c1-11-6-9-17(10-7-11)13(18)12-5-8-16(4,14(19)20)15(12,2)3/h11-12H,5-10H2,1-4H3,(H,19,20)
InChIKeyFULGHXDFJCSQRU-UHFFFAOYSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1,2,2-trimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 3655007) is 1,2,2-trimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1,2,2-trimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1,2,2-trimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid is CC1CCN(C(=O)C2CCC(C)(C(=O)O)C2(C)C)CC1.
What is the InChIKey of 1,2,2-trimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is FULGHXDFJCSQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-11-6-9-17(10-7-11)13(18)12-5-8-16(4,14(19)20)15(12,2)3/h11-12H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 1,2,2-trimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
1,2,2-trimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 281.40 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-3-(4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 3655007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).