2-acetamido-3-(4-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide

C23H26FN7O2 — CID 649890

IUPAC2-acetamido-3-(4-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
SMILESCC(=O)NC(Cc1ccc(F)cc1)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C23H26FN7O2/c1-16(32)25-21(15-17-7-9-18(24)10-8-17)22(33)26-19-11-13-30(14-12-19)23-27-28-29-31(23)20-5-3-2-4-6-20/h2-10,19,21H,11-15H2,1H3,(H,25,32)(H,26,33)
InChIKeyWJLXAGMSMSQUKX-UHFFFAOYSA-N
MW451.51 g/mol
LogP1.63
Rot. Bonds7

About 2-acetamido-3-(4-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide

2-acetamido-3-(4-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide (PubChem CID 649890) has the molecular formula C23H26FN7O2 and a molecular weight of 451.51 g/mol. Its IUPAC name is 2-acetamido-3-(4-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(4-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
PubChem CID649890
Molecular FormulaC23H26FN7O2
Molecular Weight451.51 g/mol
Exact Mass451.21
IUPAC Name2-acetamido-3-(4-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
SMILESCC(=O)NC(Cc1ccc(F)cc1)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C23H26FN7O2/c1-16(32)25-21(15-17-7-9-18(24)10-8-17)22(33)26-19-11-13-30(14-12-19)23-27-28-29-31(23)20-5-3-2-4-6-20/h2-10,19,21H,11-15H2,1H3,(H,25,32)(H,26,33)
InChIKeyWJLXAGMSMSQUKX-UHFFFAOYSA-N
XLogP1.63
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(4-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The IUPAC name of 2-acetamido-3-(4-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide (CID 649890) is 2-acetamido-3-(4-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-acetamido-3-(4-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-acetamido-3-(4-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide is CC(=O)NC(Cc1ccc(F)cc1)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 2-acetamido-3-(4-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The InChIKey is WJLXAGMSMSQUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O2/c1-16(32)25-21(15-17-7-9-18(24)10-8-17)22(33)26-19-11-13-30(14-12-19)23-27-28-29-31(23)20-5-3-2-4-6-20/h2-10,19,21H,11-15H2,1H3,(H,25,32)(H,26,33).
What are the key properties of 2-acetamido-3-(4-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
2-acetamido-3-(4-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide has a molecular weight of 451.51 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(4-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 649890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).