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

C23H25F2N7O2 — CID 3231809

IUPAC2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
SMILESCC(=O)NC(Cc1ccc(F)c(F)c1)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C23H25F2N7O2/c1-15(33)26-21(14-16-7-8-19(24)20(25)13-16)22(34)27-17-9-11-31(12-10-17)23-28-29-30-32(23)18-5-3-2-4-6-18/h2-8,13,17,21H,9-12,14H2,1H3,(H,26,33)(H,27,34)
InChIKeyUEUGVMJZDTZSKJ-UHFFFAOYSA-N
MW469.50 g/mol
LogP1.77
Rot. Bonds7

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

2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide (PubChem CID 3231809) has the molecular formula C23H25F2N7O2 and a molecular weight of 469.50 g/mol. Its IUPAC name is 2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
PubChem CID3231809
Molecular FormulaC23H25F2N7O2
Molecular Weight469.50 g/mol
Exact Mass469.20
IUPAC Name2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
SMILESCC(=O)NC(Cc1ccc(F)c(F)c1)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C23H25F2N7O2/c1-15(33)26-21(14-16-7-8-19(24)20(25)13-16)22(34)27-17-9-11-31(12-10-17)23-28-29-30-32(23)18-5-3-2-4-6-18/h2-8,13,17,21H,9-12,14H2,1H3,(H,26,33)(H,27,34)
InChIKeyUEUGVMJZDTZSKJ-UHFFFAOYSA-N
XLogP1.77
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The IUPAC name of 2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide (CID 3231809) is 2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide is CC(=O)NC(Cc1ccc(F)c(F)c1)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The InChIKey is UEUGVMJZDTZSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7O2/c1-15(33)26-21(14-16-7-8-19(24)20(25)13-16)22(34)27-17-9-11-31(12-10-17)23-28-29-30-32(23)18-5-3-2-4-6-18/h2-8,13,17,21H,9-12,14H2,1H3,(H,26,33)(H,27,34).
What are the key properties of 2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide has a molecular weight of 469.50 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 3231809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).