cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid

C14H23NO3 — CID 114091996

IUPACcis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCCC1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)C2)CC1
InChIInChI=1S/C14H23NO3/c1-2-10-5-7-15(8-6-10)13(16)11-3-4-12(9-11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/t11-,12+/m1/s1
InChIKeyJWHRGCBTYZTMLU-NEPJUHHUSA-N
MW253.34 g/mol
LogP2.14
Rot. Bonds3

About cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 114091996) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID114091996
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namecis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCCC1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)C2)CC1
InChIInChI=1S/C14H23NO3/c1-2-10-5-7-15(8-6-10)13(16)11-3-4-12(9-11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/t11-,12+/m1/s1
InChIKeyJWHRGCBTYZTMLU-NEPJUHHUSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-4-methylcyclohexyl)-(4-ethylpiperidin-1-yl)methanone
CID 62780914
cis-(1S,3R)-3-(3-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091790
3-(4-ethoxycarbonylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103549697
3-[4-(ethylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 103550405
cis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114092440
(3-aminocyclopentyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
CID 119794884
[4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone
CID 62807473
3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550750
(4-ethylpiperidin-1-yl)-(1-propan-2-ylazetidin-3-yl)methanone
CID 171093987
3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103551239
cis-(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 139534269
2-(4-ethylazepane-1-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391052

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 114091996) is cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid is CCC1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)C2)CC1.
What is the InChIKey of cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is JWHRGCBTYZTMLU-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H23NO3/c1-2-10-5-7-15(8-6-10)13(16)11-3-4-12(9-11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)/t11-,12+/m1/s1.
What are the key properties of cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114091996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).