[4-[2-[(6-phenylpyridine-2-carbonyl)amino]acetyl]piperazin-1-yl] propanoate

C21H24N4O4 — CID 45271977

IUPAC[4-[2-[(6-phenylpyridine-2-carbonyl)amino]acetyl]piperazin-1-yl] propanoate
SMILESCCC(=O)ON1CCN(C(=O)CNC(=O)c2cccc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H24N4O4/c1-2-20(27)29-25-13-11-24(12-14-25)19(26)15-22-21(28)18-10-6-9-17(23-18)16-7-4-3-5-8-16/h3-10H,2,11-15H2,1H3,(H,22,28)
InChIKeyYRQZQDNLNUWZOK-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.49
Rot. Bonds6

About [4-[2-[(6-phenylpyridine-2-carbonyl)amino]acetyl]piperazin-1-yl] propanoate

[4-[2-[(6-phenylpyridine-2-carbonyl)amino]acetyl]piperazin-1-yl] propanoate (PubChem CID 45271977) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is [4-[2-[(6-phenylpyridine-2-carbonyl)amino]acetyl]piperazin-1-yl] propanoate.

Molecular Properties

Compound Name[4-[2-[(6-phenylpyridine-2-carbonyl)amino]acetyl]piperazin-1-yl] propanoate
PubChem CID45271977
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name[4-[2-[(6-phenylpyridine-2-carbonyl)amino]acetyl]piperazin-1-yl] propanoate
SMILESCCC(=O)ON1CCN(C(=O)CNC(=O)c2cccc(-c3ccccc3)n2)CC1
InChIInChI=1S/C21H24N4O4/c1-2-20(27)29-25-13-11-24(12-14-25)19(26)15-22-21(28)18-10-6-9-17(23-18)16-7-4-3-5-8-16/h3-10H,2,11-15H2,1H3,(H,22,28)
InChIKeyYRQZQDNLNUWZOK-UHFFFAOYSA-N
XLogP1.49
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[(6-phenylpyridine-2-carbonyl)amino]acetyl]piperazin-1-yl] propanoate?
The IUPAC name of [4-[2-[(6-phenylpyridine-2-carbonyl)amino]acetyl]piperazin-1-yl] propanoate (CID 45271977) is [4-[2-[(6-phenylpyridine-2-carbonyl)amino]acetyl]piperazin-1-yl] propanoate.
What is the SMILES notation for [4-[2-[(6-phenylpyridine-2-carbonyl)amino]acetyl]piperazin-1-yl] propanoate?
The canonical SMILES for [4-[2-[(6-phenylpyridine-2-carbonyl)amino]acetyl]piperazin-1-yl] propanoate is CCC(=O)ON1CCN(C(=O)CNC(=O)c2cccc(-c3ccccc3)n2)CC1.
What is the InChIKey of [4-[2-[(6-phenylpyridine-2-carbonyl)amino]acetyl]piperazin-1-yl] propanoate?
The InChIKey is YRQZQDNLNUWZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-2-20(27)29-25-13-11-24(12-14-25)19(26)15-22-21(28)18-10-6-9-17(23-18)16-7-4-3-5-8-16/h3-10H,2,11-15H2,1H3,(H,22,28).
What are the key properties of [4-[2-[(6-phenylpyridine-2-carbonyl)amino]acetyl]piperazin-1-yl] propanoate?
[4-[2-[(6-phenylpyridine-2-carbonyl)amino]acetyl]piperazin-1-yl] propanoate has a molecular weight of 396.45 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(6-phenylpyridine-2-carbonyl)amino]acetyl]piperazin-1-yl] propanoate is sourced from PubChem (CID 45271977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).