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

C24H29N7O2 — CID 3232519

IUPAC2-acetamido-3-(2-methylphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
SMILESCC(=O)NC(Cc1ccccc1C)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C24H29N7O2/c1-17-8-6-7-9-19(17)16-22(25-18(2)32)23(33)26-20-12-14-30(15-13-20)24-27-28-29-31(24)21-10-4-3-5-11-21/h3-11,20,22H,12-16H2,1-2H3,(H,25,32)(H,26,33)
InChIKeyDJIHQESUDQRTQC-UHFFFAOYSA-N
MW447.54 g/mol
LogP1.80
Rot. Bonds7

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

2-acetamido-3-(2-methylphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide (PubChem CID 3232519) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-acetamido-3-(2-methylphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(2-methylphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
PubChem CID3232519
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name2-acetamido-3-(2-methylphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
SMILESCC(=O)NC(Cc1ccccc1C)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C24H29N7O2/c1-17-8-6-7-9-19(17)16-22(25-18(2)32)23(33)26-20-12-14-30(15-13-20)24-27-28-29-31(24)21-10-4-3-5-11-21/h3-11,20,22H,12-16H2,1-2H3,(H,25,32)(H,26,33)
InChIKeyDJIHQESUDQRTQC-UHFFFAOYSA-N
XLogP1.80
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2-methylphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The IUPAC name of 2-acetamido-3-(2-methylphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide (CID 3232519) is 2-acetamido-3-(2-methylphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-acetamido-3-(2-methylphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-acetamido-3-(2-methylphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide is CC(=O)NC(Cc1ccccc1C)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 2-acetamido-3-(2-methylphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The InChIKey is DJIHQESUDQRTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-17-8-6-7-9-19(17)16-22(25-18(2)32)23(33)26-20-12-14-30(15-13-20)24-27-28-29-31(24)21-10-4-3-5-11-21/h3-11,20,22H,12-16H2,1-2H3,(H,25,32)(H,26,33).
What are the key properties of 2-acetamido-3-(2-methylphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
2-acetamido-3-(2-methylphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide has a molecular weight of 447.54 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2-methylphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 3232519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).