(3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid

C17H23NO4 — CID 119173861

IUPAC(3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid
SMILESCC(C)Oc1cccc(CC(=O)N2CCC[C@H](C(=O)O)C2)c1
InChIInChI=1S/C17H23NO4/c1-12(2)22-15-7-3-5-13(9-15)10-16(19)18-8-4-6-14(11-18)17(20)21/h3,5,7,9,12,14H,4,6,8,10-11H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyFOQHTVHTIUCJMQ-AWEZNQCLSA-N
MW305.37 g/mol
LogP2.34
Rot. Bonds5

About (3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid

(3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid (PubChem CID 119173861) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is (3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid
PubChem CID119173861
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name(3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid
SMILESCC(C)Oc1cccc(CC(=O)N2CCC[C@H](C(=O)O)C2)c1
InChIInChI=1S/C17H23NO4/c1-12(2)22-15-7-3-5-13(9-15)10-16(19)18-8-4-6-14(11-18)17(20)21/h3,5,7,9,12,14H,4,6,8,10-11H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyFOQHTVHTIUCJMQ-AWEZNQCLSA-N
XLogP2.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone
CID 119517535
5-(azetidin-1-yl)-2-[1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]pyridazin-3-one
CID 128970455
1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone
CID 119400816
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone
CID 119644998
1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid
CID 45429214
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 61029424
4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229628
1-[2-[methyl-(6-propan-2-yloxypyridine-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 120534157
methyl 1-[2-(3-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 78919144
(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
CID 81119430
1-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-[3-(difluoromethoxy)phenyl]ethanone
CID 95333960
(3S)-1-[2-(3-bromo-4-fluorophenyl)acetyl]piperidine-3-carboxylic acid
CID 97323823

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid (CID 119173861) is (3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid is CC(C)Oc1cccc(CC(=O)N2CCC[C@H](C(=O)O)C2)c1.
What is the InChIKey of (3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is FOQHTVHTIUCJMQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12(2)22-15-7-3-5-13(9-15)10-16(19)18-8-4-6-14(11-18)17(20)21/h3,5,7,9,12,14H,4,6,8,10-11H2,1-2H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid?
(3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119173861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).