cis-(1S,2R)-2-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid

C15H25NO3 — CID 114092294

IUPACcis-(1S,2R)-2-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCCC1(C)CCN(C(=O)[C@@H]2CCC[C@@H]2C(=O)O)CC1
InChIInChI=1S/C15H25NO3/c1-3-15(2)7-9-16(10-8-15)13(17)11-5-4-6-12(11)14(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)/t11-,12+/m1/s1
InChIKeyOFFVLGOKTYTDMX-NEPJUHHUSA-N
MW267.37 g/mol
LogP2.53
Rot. Bonds3

About cis-(1S,2R)-2-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 114092294) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID114092294
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namecis-(1S,2R)-2-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCCC1(C)CCN(C(=O)[C@@H]2CCC[C@@H]2C(=O)O)CC1
InChIInChI=1S/C15H25NO3/c1-3-15(2)7-9-16(10-8-15)13(17)11-5-4-6-12(11)14(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)/t11-,12+/m1/s1
InChIKeyOFFVLGOKTYTDMX-NEPJUHHUSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978731
2-(4,4-dimethylazepane-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120976964
2-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 3475386
(2-amino-6-methylcyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 55160462
2-[4-(2-carboxycyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 4025165
2-(4-acetylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 16786759
(3-aminocyclohexyl)-(4-ethyl-4-methylpiperidin-1-yl)methanone;hydrochloride
CID 119766741
cis-(1S,2R)-2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 106317939
2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 113360949
(4-ethyl-4-methylpiperidin-1-yl)-piperidin-4-ylmethanone
CID 63160104
2-(3-ethyl-4-methylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978778
[3-(aminomethyl)cyclohexyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162410

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 114092294) is cis-(1S,2R)-2-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid is CCC1(C)CCN(C(=O)[C@@H]2CCC[C@@H]2C(=O)O)CC1.
What is the InChIKey of cis-(1S,2R)-2-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is OFFVLGOKTYTDMX-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-15(2)7-9-16(10-8-15)13(17)11-5-4-6-12(11)14(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)/t11-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(4-ethyl-4-methylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).