4-tert-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide

C29H36N4O2 — CID 10073554

IUPAC4-tert-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide
SMILESCOc1ccccc1N1CCN(CCN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccn2)CC1
InChIInChI=1S/C29H36N4O2/c1-29(2,3)24-14-12-23(13-15-24)28(34)33(27-11-7-8-16-30-27)22-19-31-17-20-32(21-18-31)25-9-5-6-10-26(25)35-4/h5-16H,17-22H2,1-4H3
InChIKeyAOVUBHRCFNGRBE-UHFFFAOYSA-N
MW472.63 g/mol
LogP4.86
Rot. Bonds7

About 4-tert-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide

4-tert-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide (PubChem CID 10073554) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide
PubChem CID10073554
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC Name4-tert-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide
SMILESCOc1ccccc1N1CCN(CCN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccn2)CC1
InChIInChI=1S/C29H36N4O2/c1-29(2,3)24-14-12-23(13-15-24)28(34)33(27-11-7-8-16-30-27)22-19-31-17-20-32(21-18-31)25-9-5-6-10-26(25)35-4/h5-16H,17-22H2,1-4H3
InChIKeyAOVUBHRCFNGRBE-UHFFFAOYSA-N
XLogP4.86
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-tert-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide (CID 10073554) is 4-tert-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide is COc1ccccc1N1CCN(CCN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccn2)CC1.
What is the InChIKey of 4-tert-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide?
The InChIKey is AOVUBHRCFNGRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-29(2,3)24-14-12-23(13-15-24)28(34)33(27-11-7-8-16-30-27)22-19-31-17-20-32(21-18-31)25-9-5-6-10-26(25)35-4/h5-16H,17-22H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide?
4-tert-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide has a molecular weight of 472.63 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 10073554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).