2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid

C19H24ClNO4 — CID 119178898

IUPAC2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2(c3ccccc3Cl)CCOCC2)CC1
InChIInChI=1S/C19H24ClNO4/c20-16-4-2-1-3-15(16)19(7-11-25-12-8-19)18(24)21-9-5-14(6-10-21)13-17(22)23/h1-4,14H,5-13H2,(H,22,23)
InChIKeyKRFLUCUOSQSMIL-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.10
Rot. Bonds4

About 2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid

2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid (PubChem CID 119178898) has the molecular formula C19H24ClNO4 and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid
PubChem CID119178898
Molecular FormulaC19H24ClNO4
Molecular Weight365.86 g/mol
Exact Mass365.14
IUPAC Name2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2(c3ccccc3Cl)CCOCC2)CC1
InChIInChI=1S/C19H24ClNO4/c20-16-4-2-1-3-15(16)19(7-11-25-12-8-19)18(24)21-9-5-14(6-10-21)13-17(22)23/h1-4,14H,5-13H2,(H,22,23)
InChIKeyKRFLUCUOSQSMIL-UHFFFAOYSA-N
XLogP3.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-aminopiperidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone
CID 124593906
(3R,4R)-1-[4-(2-chlorophenyl)oxane-4-carbonyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978259
methyl 1-[4-(2-chlorophenyl)oxane-4-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 86897389
[4-(2-chlorophenyl)oxan-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119491517
[4-(2-chlorophenyl)oxan-4-yl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 124589977
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[4-(2-chlorophenyl)oxan-4-yl]methanone
CID 120746793
2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid
CID 119177843
2-[1-(1-phenoxycyclopropanecarbonyl)piperidin-4-yl]acetic acid
CID 122107222
2-[2-[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242729
[1-(2-chlorophenyl)cyclopropyl]-(1,4-diazepan-1-yl)methanone
CID 95483027
(2S)-2-[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]propanoic acid
CID 119238677
[1-(2-fluorophenyl)cyclopropyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110473638

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid (CID 119178898) is 2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)C2(c3ccccc3Cl)CCOCC2)CC1.
What is the InChIKey of 2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid?
The InChIKey is KRFLUCUOSQSMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO4/c20-16-4-2-1-3-15(16)19(7-11-25-12-8-19)18(24)21-9-5-14(6-10-21)13-17(22)23/h1-4,14H,5-13H2,(H,22,23).
What are the key properties of 2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid?
2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid has a molecular weight of 365.86 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).