4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid

C16H23NO4 — CID 117053796

IUPAC4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C16H23NO4/c1-11(2)17-8-6-13(7-9-17)21-15-10-12(16(18)19)4-5-14(15)20-3/h4-5,10-11,13H,6-9H2,1-3H3,(H,18,19)
InChIKeySEFKUHFLFYWVQW-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.64
Rot. Bonds5

About 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid

4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid (PubChem CID 117053796) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid
PubChem CID117053796
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1OC1CCN(C(C)C)CC1
InChIInChI=1S/C16H23NO4/c1-11(2)17-8-6-13(7-9-17)21-15-10-12(16(18)19)4-5-14(15)20-3/h4-5,10-11,13H,6-9H2,1-3H3,(H,18,19)
InChIKeySEFKUHFLFYWVQW-UHFFFAOYSA-N
XLogP2.64
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 97280716
methyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate
CID 42393723
1-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]piperidine-4-carbonitrile
CID 72921915
4-methoxy-3-piperidin-4-yloxybenzoic acid
CID 117053793
4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 45194364
N-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 25292140
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 97279085
4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 97283103
4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 24793078
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide
CID 45231940
4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid
CID 117417074
3-(1,1-dioxothietan-3-yl)oxy-4-methoxybenzoic acid
CID 117433322

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid?
The IUPAC name of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid (CID 117053796) is 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid.
What is the SMILES notation for 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid?
The canonical SMILES for 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid is COc1ccc(C(=O)O)cc1OC1CCN(C(C)C)CC1.
What is the InChIKey of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid?
The InChIKey is SEFKUHFLFYWVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(2)17-8-6-13(7-9-17)21-15-10-12(16(18)19)4-5-14(15)20-3/h4-5,10-11,13H,6-9H2,1-3H3,(H,18,19).
What are the key properties of 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid?
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid is sourced from PubChem (CID 117053796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).