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

C24H29N7O3 — CID 644650

IUPAC2-acetamido-3-(2-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
SMILESCOc1ccccc1CC(NC(C)=O)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C24H29N7O3/c1-17(32)25-21(16-18-8-6-7-11-22(18)34-2)23(33)26-19-12-14-30(15-13-19)24-27-28-29-31(24)20-9-4-3-5-10-20/h3-11,19,21H,12-16H2,1-2H3,(H,25,32)(H,26,33)
InChIKeyFNSDFJNSJPESJD-UHFFFAOYSA-N
MW463.54 g/mol
LogP1.50
Rot. Bonds8

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

2-acetamido-3-(2-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide (PubChem CID 644650) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 2-acetamido-3-(2-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(2-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
PubChem CID644650
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name2-acetamido-3-(2-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
SMILESCOc1ccccc1CC(NC(C)=O)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C24H29N7O3/c1-17(32)25-21(16-18-8-6-7-11-22(18)34-2)23(33)26-19-12-14-30(15-13-19)24-27-28-29-31(24)20-9-4-3-5-10-20/h3-11,19,21H,12-16H2,1-2H3,(H,25,32)(H,26,33)
InChIKeyFNSDFJNSJPESJD-UHFFFAOYSA-N
XLogP1.50
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The IUPAC name of 2-acetamido-3-(2-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide (CID 644650) is 2-acetamido-3-(2-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-acetamido-3-(2-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-acetamido-3-(2-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide is COc1ccccc1CC(NC(C)=O)C(=O)NC1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 2-acetamido-3-(2-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
The InChIKey is FNSDFJNSJPESJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-17(32)25-21(16-18-8-6-7-11-22(18)34-2)23(33)26-19-12-14-30(15-13-19)24-27-28-29-31(24)20-9-4-3-5-10-20/h3-11,19,21H,12-16H2,1-2H3,(H,25,32)(H,26,33).
What are the key properties of 2-acetamido-3-(2-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide?
2-acetamido-3-(2-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide has a molecular weight of 463.54 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2-methoxyphenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 644650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).