1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid

C19H25NO4 — CID 119349942

IUPAC1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid
SMILESCOc1cc(C2(C(=O)N3CCC(C(=O)O)CC3)CCC2)ccc1C
InChIInChI=1S/C19H25NO4/c1-13-4-5-15(12-16(13)24-2)19(8-3-9-19)18(23)20-10-6-14(7-11-20)17(21)22/h4-5,12,14H,3,6-11H2,1-2H3,(H,21,22)
InChIKeyBNQDUGDIXDCVSS-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.75
Rot. Bonds4

About 1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid

1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid (PubChem CID 119349942) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid
PubChem CID119349942
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid
SMILESCOc1cc(C2(C(=O)N3CCC(C(=O)O)CC3)CCC2)ccc1C
InChIInChI=1S/C19H25NO4/c1-13-4-5-15(12-16(13)24-2)19(8-3-9-19)18(23)20-10-6-14(7-11-20)17(21)22/h4-5,12,14H,3,6-11H2,1-2H3,(H,21,22)
InChIKeyBNQDUGDIXDCVSS-UHFFFAOYSA-N
XLogP2.75
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]piperidine-4-carboxamide
CID 119125744
1,4-diazepan-1-yl-[1-(3-methoxy-4-methylphenyl)cyclopentyl]methanone
CID 119415679
2-[(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]morpholin-2-yl]acetic acid
CID 125133752
cis-(1S,3R)-3-[[1-(3-methoxy-4-methylphenyl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674963
(2R)-4-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]morpholine-2-carboxylic acid
CID 125154261
[1-(3-methoxy-4-methylphenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540306
1-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256385
1-(3-methoxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 16769454
2-(3-methoxy-4-methylphenyl)spiro[3.3]heptane-2-carboxylic acid
CID 65009437
N-[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-1-(3-methoxy-4-methylphenyl)cyclopropane-1-carboxamide
CID 95334427
(3S)-1-[1-(3-methoxyphenyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 119174323
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-methoxy-4-methylphenyl)cyclopropyl]methanone;hydrochloride
CID 120805528

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid (CID 119349942) is 1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid is COc1cc(C2(C(=O)N3CCC(C(=O)O)CC3)CCC2)ccc1C.
What is the InChIKey of 1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid?
The InChIKey is BNQDUGDIXDCVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-13-4-5-15(12-16(13)24-2)19(8-3-9-19)18(23)20-10-6-14(7-11-20)17(21)22/h4-5,12,14H,3,6-11H2,1-2H3,(H,21,22).
What are the key properties of 1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid?
1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid has a molecular weight of 331.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxy-4-methylphenyl)cyclobutanecarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119349942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).