(3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid

C18H23NO5 — CID 119113571

IUPAC(3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)c2ccc(OCC3CCCO3)cc2)C1
InChIInChI=1S/C18H23NO5/c20-17(19-9-1-3-14(11-19)18(21)22)13-5-7-15(8-6-13)24-12-16-4-2-10-23-16/h5-8,14,16H,1-4,9-12H2,(H,21,22)/t14-,16?/m0/s1
InChIKeyHDEHIZWRKUETFV-LBAUFKAWSA-N
MW333.38 g/mol
LogP2.18
Rot. Bonds5

About (3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid

(3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid (PubChem CID 119113571) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is (3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid
PubChem CID119113571
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name(3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)c2ccc(OCC3CCCO3)cc2)C1
InChIInChI=1S/C18H23NO5/c20-17(19-9-1-3-14(11-19)18(21)22)13-5-7-15(8-6-13)24-12-16-4-2-10-23-16/h5-8,14,16H,1-4,9-12H2,(H,21,22)/t14-,16?/m0/s1
InChIKeyHDEHIZWRKUETFV-LBAUFKAWSA-N
XLogP2.18
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076597
1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119167329
[(3R)-3-aminopyrrolidin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124699629
1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
[4-(oxolan-2-ylmethoxy)phenyl]-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 55556391
4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 41412055
(2,6-dimethylmorpholin-4-yl)-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 78774258
(3R)-3-methyl-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125134053
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-(oxolan-2-ylmethoxy)phenyl]methanone
CID 120656262
2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821595
[4-(oxiran-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone
CID 146098594
4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid
CID 119216307

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid (CID 119113571) is (3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)c2ccc(OCC3CCCO3)cc2)C1.
What is the InChIKey of (3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid?
The InChIKey is HDEHIZWRKUETFV-LBAUFKAWSA-N. The full InChI is InChI=1S/C18H23NO5/c20-17(19-9-1-3-14(11-19)18(21)22)13-5-7-15(8-6-13)24-12-16-4-2-10-23-16/h5-8,14,16H,1-4,9-12H2,(H,21,22)/t14-,16?/m0/s1.
What are the key properties of (3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid?
(3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid has a molecular weight of 333.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119113571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).