2-[1-[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid

C19H25NO3 — CID 119178178

IUPAC2-[1-[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid
SMILESCc1cc(C)cc(C2(C(=O)N3CCC(CC(=O)O)CC3)CC2)c1
InChIInChI=1S/C19H25NO3/c1-13-9-14(2)11-16(10-13)19(5-6-19)18(23)20-7-3-15(4-8-20)12-17(21)22/h9-11,15H,3-8,12H2,1-2H3,(H,21,22)
InChIKeyDXEMQXCWNWIRGM-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.05
Rot. Bonds4

About 2-[1-[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid

2-[1-[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid (PubChem CID 119178178) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[1-[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid
PubChem CID119178178
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-[1-[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid
SMILESCc1cc(C)cc(C2(C(=O)N3CCC(CC(=O)O)CC3)CC2)c1
InChIInChI=1S/C19H25NO3/c1-13-9-14(2)11-16(10-13)19(5-6-19)18(23)20-7-3-15(4-8-20)12-17(21)22/h9-11,15H,3-8,12H2,1-2H3,(H,21,22)
InChIKeyDXEMQXCWNWIRGM-UHFFFAOYSA-N
XLogP3.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid
CID 119177843
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(3,5-dimethylphenyl)cyclopropyl]methanone;hydrochloride
CID 120816629
[1-(3,5-dimethylphenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490422
2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid
CID 119178068
[4-(aminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 166001503
2-[1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide
CID 56813617
2-[1-(4-methylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79608498
2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid
CID 115444228
2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 79605697
2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid
CID 119178898
2-[1-(1-phenoxycyclopropanecarbonyl)piperidin-4-yl]acetic acid
CID 122107222
2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79612982

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid (CID 119178178) is 2-[1-[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid is Cc1cc(C)cc(C2(C(=O)N3CCC(CC(=O)O)CC3)CC2)c1.
What is the InChIKey of 2-[1-[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid?
The InChIKey is DXEMQXCWNWIRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-13-9-14(2)11-16(10-13)19(5-6-19)18(23)20-7-3-15(4-8-20)12-17(21)22/h9-11,15H,3-8,12H2,1-2H3,(H,21,22).
What are the key properties of 2-[1-[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid?
2-[1-[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid has a molecular weight of 315.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).