2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]acetic acid

C20H26N2O4 — CID 10133035

IUPAC2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]acetic acid
SMILESCOc1ccc(C2(C#N)CCN(CC(=O)O)CC2)cc1OC1CCCC1
InChIInChI=1S/C20H26N2O4/c1-25-17-7-6-15(12-18(17)26-16-4-2-3-5-16)20(14-21)8-10-22(11-9-20)13-19(23)24/h6-7,12,16H,2-5,8-11,13H2,1H3,(H,23,24)
InChIKeyGZQWHFGBCNSVIY-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.96
Rot. Bonds6

About 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]acetic acid

2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]acetic acid (PubChem CID 10133035) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]acetic acid
PubChem CID10133035
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]acetic acid
SMILESCOc1ccc(C2(C#N)CCN(CC(=O)O)CC2)cc1OC1CCCC1
InChIInChI=1S/C20H26N2O4/c1-25-17-7-6-15(12-18(17)26-16-4-2-3-5-16)20(14-21)8-10-22(11-9-20)13-19(23)24/h6-7,12,16H,2-5,8-11,13H2,1H3,(H,23,24)
InChIKeyGZQWHFGBCNSVIY-UHFFFAOYSA-N
XLogP2.96
TPSA82.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ono-6126
CID 9864321
2-[4-cyano-4-(3-ethoxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide
CID 9945538
2-[4-cyano-4-(4-methoxy-3-propan-2-yloxyphenyl)piperidin-1-yl]-N-hydroxyacetamide
CID 10132419
2-[4-cyano-4-(3-cyclobutyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide
CID 10155377
1-[2-Oxo-2-(hydroxyamino)ethyl]-4-[3-(cyclopentyloxy)-4-(difluoromethoxy)phenyl]piperidine-4-carbonitrile
CID 10201551
(2R)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide
CID 10221819
2-[4-cyano-4-[3-(cyclopropylmethoxy)-4-methoxyphenyl]piperidin-1-yl]-N-hydroxyacetamide
CID 10291951
4-[5-(4-Allyl-2-methoxyphenoxy)pentyl]morpholine
CID 3244531
1-(2-Oxo-2-hydroxyethyl)-4-[3-(cyclopentyloxy)-4-(difluoromethoxy)phenyl]piperidine-4-carbonitrile
CID 9931477
2-[4-cyano-4-(3-cyclopentyloxy-4-ethoxyphenyl)piperidin-1-yl]-N-hydroxyacetamide
CID 10134821
2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxy-2-methylpropanamide
CID 10157887
(2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide
CID 10200231

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]acetic acid (CID 10133035) is 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]acetic acid is COc1ccc(C2(C#N)CCN(CC(=O)O)CC2)cc1OC1CCCC1.
What is the InChIKey of 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]acetic acid?
The InChIKey is GZQWHFGBCNSVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-25-17-7-6-15(12-18(17)26-16-4-2-3-5-16)20(14-21)8-10-22(11-9-20)13-19(23)24/h6-7,12,16H,2-5,8-11,13H2,1H3,(H,23,24).
What are the key properties of 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]acetic acid?
2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]acetic acid has a molecular weight of 358.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 10133035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).