4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid

C20H26N2O5 — CID 119239884

IUPAC4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)CCO1
InChIInChI=1S/C20H26N2O5/c23-18(7-6-15-4-2-1-3-5-15)21-10-8-16(9-11-21)19(24)22-12-13-27-17(14-22)20(25)26/h1-5,16-17H,6-14H2,(H,25,26)
InChIKeyZRDMAUFRLGMWBO-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.17
Rot. Bonds5

About 4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid

4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid (PubChem CID 119239884) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid
PubChem CID119239884
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)CCO1
InChIInChI=1S/C20H26N2O5/c23-18(7-6-15-4-2-1-3-5-15)21-10-8-16(9-11-21)19(24)22-12-13-27-17(14-22)20(25)26/h1-5,16-17H,6-14H2,(H,25,26)
InChIKeyZRDMAUFRLGMWBO-UHFFFAOYSA-N
XLogP1.17
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-cyclopropyl-1-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 120979845
1-[4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119635073
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-5-phenylpentan-1-one
CID 110425931
3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 120997056
3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
CID 55916326
(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid
CID 124700706
1-[4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 55845373
1-[4-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119487743
4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid
CID 104984264
1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 110740943
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid
CID 124700575

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid (CID 119239884) is 4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)CCO1.
What is the InChIKey of 4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is ZRDMAUFRLGMWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c23-18(7-6-15-4-2-1-3-5-15)21-10-8-16(9-11-21)19(24)22-12-13-27-17(14-22)20(25)26/h1-5,16-17H,6-14H2,(H,25,26).
What are the key properties of 4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid?
4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 374.44 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119239884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).