1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid

C18H25NO4 — CID 120684265

IUPAC1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid
SMILESCCC(CC(=O)N1CCC(C(=O)O)CC1)c1ccc(OC)cc1
InChIInChI=1S/C18H25NO4/c1-3-13(14-4-6-16(23-2)7-5-14)12-17(20)19-10-8-15(9-11-19)18(21)22/h4-7,13,15H,3,8-12H2,1-2H3,(H,21,22)
InChIKeyNQHJNMLTRUHJJX-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.90
Rot. Bonds6

About 1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid

1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid (PubChem CID 120684265) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid
PubChem CID120684265
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid
SMILESCCC(CC(=O)N1CCC(C(=O)O)CC1)c1ccc(OC)cc1
InChIInChI=1S/C18H25NO4/c1-3-13(14-4-6-16(23-2)7-5-14)12-17(20)19-10-8-15(9-11-19)18(21)22/h4-7,13,15H,3,8-12H2,1-2H3,(H,21,22)
InChIKeyNQHJNMLTRUHJJX-UHFFFAOYSA-N
XLogP2.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-methoxyphenyl)pentanoyl]piperidine-3-carboxylic acid
CID 120684317
1-(3-phenylpentanoyl)piperidine-3-carboxylic acid
CID 119167620
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one
CID 119644558
1-[2-(4-methoxyphenyl)acetyl]pyrrolidine-3-carboxylic acid
CID 63006760
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride
CID 119517112
1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 66196818
3-(4-methoxyphenyl)-5-oxo-5-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentanoic acid
CID 91953182
3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 110673887
3,3-bis(4-methoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 164754110
5-[4-(4-ethoxycarbonylphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)-5-oxopentanoic acid
CID 71489057
1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidine-4-carboxylic acid
CID 39044812
(3R)-3-(4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 92709117

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid (CID 120684265) is 1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid is CCC(CC(=O)N1CCC(C(=O)O)CC1)c1ccc(OC)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid?
The InChIKey is NQHJNMLTRUHJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-3-13(14-4-6-16(23-2)7-5-14)12-17(20)19-10-8-15(9-11-19)18(21)22/h4-7,13,15H,3,8-12H2,1-2H3,(H,21,22).
What are the key properties of 1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid?
1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)pentanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 120684265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).