3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid

C19H25NO4 — CID 129415483

IUPAC3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCN(C(=O)c2ccccc2OCC2CC2)C1
InChIInChI=1S/C19H25NO4/c21-18(22)10-9-14-4-3-11-20(12-14)19(23)16-5-1-2-6-17(16)24-13-15-7-8-15/h1-2,5-6,14-15H,3-4,7-13H2,(H,21,22)/t14-/m1/s1
InChIKeyDOGGYISBIBFCIR-CQSZACIVSA-N
MW331.41 g/mol
LogP3.19
Rot. Bonds7

About 3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid

3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid (PubChem CID 129415483) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid
PubChem CID129415483
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCN(C(=O)c2ccccc2OCC2CC2)C1
InChIInChI=1S/C19H25NO4/c21-18(22)10-9-14-4-3-11-20(12-14)19(23)16-5-1-2-6-17(16)24-13-15-7-8-15/h1-2,5-6,14-15H,3-4,7-13H2,(H,21,22)/t14-/m1/s1
InChIKeyDOGGYISBIBFCIR-CQSZACIVSA-N
XLogP3.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-chloroethyl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 63395748
3-[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]propanoic acid
CID 120536602
2-phenoxy-1-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 163339664
furan-3-yl-[3-[[2-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 163339996
3-[(3S)-1-(4-bromo-2-methoxybenzoyl)piperidin-3-yl]propanoic acid
CID 124684718
3-[(3S)-1-(1-benzothiophene-3-carbonyl)piperidin-3-yl]propanoic acid
CID 124700764
[2-[[1-(1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 163339689
3-[(3S)-1-[3-(2-methoxyphenyl)-1-methylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124688376
N-(2-aminoethyl)-1-[2-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481079
3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124702008
3-[(3S)-1-(3-phenoxypropanoyl)piperidin-3-yl]propanoic acid
CID 124700081
[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 110878410

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid (CID 129415483) is 3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid is O=C(O)CC[C@H]1CCCN(C(=O)c2ccccc2OCC2CC2)C1.
What is the InChIKey of 3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid?
The InChIKey is DOGGYISBIBFCIR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25NO4/c21-18(22)10-9-14-4-3-11-20(12-14)19(23)16-5-1-2-6-17(16)24-13-15-7-8-15/h1-2,5-6,14-15H,3-4,7-13H2,(H,21,22)/t14-/m1/s1.
What are the key properties of 3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid?
3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid has a molecular weight of 331.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[2-(cyclopropylmethoxy)benzoyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 129415483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).