3-[[4-[(4-cyanophenyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoic acid

C23H25N3O4 — CID 67056388

IUPAC3-[[4-[(4-cyanophenyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoic acid
SMILESN#Cc1ccc(COc2ccc(C(=O)NCC(C(=O)O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C23H25N3O4/c24-14-17-4-6-18(7-5-17)16-30-20-10-8-19(9-11-20)22(27)25-15-21(23(28)29)26-12-2-1-3-13-26/h4-11,21H,1-3,12-13,15-16H2,(H,25,27)(H,28,29)
InChIKeyXZZJZXIVBLJUTD-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.81
Rot. Bonds8

About 3-[[4-[(4-cyanophenyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoic acid

3-[[4-[(4-cyanophenyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoic acid (PubChem CID 67056388) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-[[4-[(4-cyanophenyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoic acid.

Molecular Properties

Compound Name3-[[4-[(4-cyanophenyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoic acid
PubChem CID67056388
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name3-[[4-[(4-cyanophenyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoic acid
SMILESN#Cc1ccc(COc2ccc(C(=O)NCC(C(=O)O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C23H25N3O4/c24-14-17-4-6-18(7-5-17)16-30-20-10-8-19(9-11-20)22(27)25-15-21(23(28)29)26-12-2-1-3-13-26/h4-11,21H,1-3,12-13,15-16H2,(H,25,27)(H,28,29)
InChIKeyXZZJZXIVBLJUTD-UHFFFAOYSA-N
XLogP2.81
TPSA102.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-cyanophenyl)methoxy]-N-[3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide
CID 75602043
(2S)-3-[(4-but-2-ynoxybenzoyl)amino]-2-piperidin-1-ylpropanoic acid
CID 67056339
(2S)-3-[[4-[(4-fluorophenyl)methoxy]benzoyl]amino]-2-(4-methylsulfonylpiperazin-1-yl)propanoic acid
CID 67056980
4-cyano-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47026894
methyl 3-[[4-[(2-bromo-4-pyridinyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoate
CID 88876311
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenylmethoxybenzamide
CID 4841525
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
methyl 3-[(4-but-2-ynoxybenzoyl)amino]-2-piperidin-1-ylpropanoate
CID 123687132
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-phenylmethoxybenzamide
CID 17390945
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(phenoxymethyl)benzamide
CID 8001911
4-but-2-ynoxy-N-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide
CID 50990949
4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide
CID 7670252

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(4-cyanophenyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoic acid?
The IUPAC name of 3-[[4-[(4-cyanophenyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoic acid (CID 67056388) is 3-[[4-[(4-cyanophenyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoic acid.
What is the SMILES notation for 3-[[4-[(4-cyanophenyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoic acid?
The canonical SMILES for 3-[[4-[(4-cyanophenyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoic acid is N#Cc1ccc(COc2ccc(C(=O)NCC(C(=O)O)N3CCCCC3)cc2)cc1.
What is the InChIKey of 3-[[4-[(4-cyanophenyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoic acid?
The InChIKey is XZZJZXIVBLJUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c24-14-17-4-6-18(7-5-17)16-30-20-10-8-19(9-11-20)22(27)25-15-21(23(28)29)26-12-2-1-3-13-26/h4-11,21H,1-3,12-13,15-16H2,(H,25,27)(H,28,29).
What are the key properties of 3-[[4-[(4-cyanophenyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoic acid?
3-[[4-[(4-cyanophenyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoic acid has a molecular weight of 407.47 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(4-cyanophenyl)methoxy]benzoyl]amino]-2-piperidin-1-ylpropanoic acid is sourced from PubChem (CID 67056388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).