2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]morpholin-2-yl]acetic acid

C20H26N2O5 — CID 119247976

IUPAC2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]morpholin-2-yl]acetic acid
SMILESCc1ccc(C(=O)N2CCCC(C(=O)N3CCOC(CC(=O)O)C3)C2)cc1
InChIInChI=1S/C20H26N2O5/c1-14-4-6-15(7-5-14)19(25)21-8-2-3-16(12-21)20(26)22-9-10-27-17(13-22)11-18(23)24/h4-7,16-17H,2-3,8-13H2,1H3,(H,23,24)
InChIKeyUCTLSOXZEJPKJW-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.55
Rot. Bonds4

About 2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]morpholin-2-yl]acetic acid

2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]morpholin-2-yl]acetic acid (PubChem CID 119247976) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]morpholin-2-yl]acetic acid
PubChem CID119247976
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]morpholin-2-yl]acetic acid
SMILESCc1ccc(C(=O)N2CCCC(C(=O)N3CCOC(CC(=O)O)C3)C2)cc1
InChIInChI=1S/C20H26N2O5/c1-14-4-6-15(7-5-14)19(25)21-8-2-3-16(12-21)20(26)22-9-10-27-17(13-22)11-18(23)24/h4-7,16-17H,2-3,8-13H2,1H3,(H,23,24)
InChIKeyUCTLSOXZEJPKJW-UHFFFAOYSA-N
XLogP1.55
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136477
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 119412708
2-[4-(1-methylpyrrolidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 66420578
2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid
CID 124515362
2-[4-(3-iodo-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 119247963
2-[4-(1-ethylsulfonylpiperidine-3-carbonyl)morpholin-2-yl]acetic acid
CID 119248008
2-[4-(3-fluoro-4-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66421551
2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid
CID 119210383
2-[4-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248813
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]morpholin-2-yl]acetic acid (CID 119247976) is 2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]morpholin-2-yl]acetic acid is Cc1ccc(C(=O)N2CCCC(C(=O)N3CCOC(CC(=O)O)C3)C2)cc1.
What is the InChIKey of 2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]morpholin-2-yl]acetic acid?
The InChIKey is UCTLSOXZEJPKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-14-4-6-15(7-5-14)19(25)21-8-2-3-16(12-21)20(26)22-9-10-27-17(13-22)11-18(23)24/h4-7,16-17H,2-3,8-13H2,1H3,(H,23,24).
What are the key properties of 2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]morpholin-2-yl]acetic acid?
2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]morpholin-2-yl]acetic acid has a molecular weight of 374.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(4-methylbenzoyl)piperidine-3-carbonyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119247976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).