1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid

C18H25NO3 — CID 117488545

IUPAC1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid
SMILESCN1CCC(Oc2ccc(C3(C(=O)O)CCCC3)cc2)CC1
InChIInChI=1S/C18H25NO3/c1-19-12-8-16(9-13-19)22-15-6-4-14(5-7-15)18(17(20)21)10-2-3-11-18/h4-7,16H,2-3,8-13H2,1H3,(H,20,21)
InChIKeyDXUOYYBRQXEIGP-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.06
Rot. Bonds4

About 1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid

1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid (PubChem CID 117488545) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid
PubChem CID117488545
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid
SMILESCN1CCC(Oc2ccc(C3(C(=O)O)CCCC3)cc2)CC1
InChIInChI=1S/C18H25NO3/c1-19-12-8-16(9-13-19)22-15-6-4-14(5-7-15)18(17(20)21)10-2-3-11-18/h4-7,16H,2-3,8-13H2,1H3,(H,20,21)
InChIKeyDXUOYYBRQXEIGP-UHFFFAOYSA-N
XLogP3.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117463978
1-[4-(thian-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117446527
1-[4-(thietan-3-yloxy)phenyl]cyclobutane-1-carboxylic acid
CID 117415527
1-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropane-1-carboxylic acid
CID 117490723
bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 56983177
(1-methylpyrrolidin-3-yl) 1-phenylcyclopentane-1-carboxylate
CID 46213454
1-[4-(1,1-dioxothietan-3-yl)oxyphenyl]cyclopropane-1-carboxylic acid
CID 117453560
(1-methylpiperidin-4-yl) 1-(4-methylphenyl)cyclobutane-1-carboxylate
CID 23295066
2-chloro-4-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 55153382
2-[1-[4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropyl]acetic acid
CID 117467649
[(3S)-1-methylpyrrolidin-3-yl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 46213520
2-(1-methylpiperidin-4-yl)oxybenzoic acid
CID 39203185

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid (CID 117488545) is 1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid is CN1CCC(Oc2ccc(C3(C(=O)O)CCCC3)cc2)CC1.
What is the InChIKey of 1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid?
The InChIKey is DXUOYYBRQXEIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-19-12-8-16(9-13-19)22-15-6-4-14(5-7-15)18(17(20)21)10-2-3-11-18/h4-7,16H,2-3,8-13H2,1H3,(H,20,21).
What are the key properties of 1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid?
1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpiperidin-4-yl)oxyphenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117488545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).