N-[3-cyclopropyl-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide

C29H34N4O2 — CID 127048198

IUPACN-[3-cyclopropyl-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide
SMILESCCN1CCN(Cc2ccc(NC(=O)COc3ccc(-c4cccnc4)cc3)cc2C2CC2)CC1
InChIInChI=1S/C29H34N4O2/c1-2-32-14-16-33(17-15-32)20-25-7-10-26(18-28(25)23-5-6-23)31-29(34)21-35-27-11-8-22(9-12-27)24-4-3-13-30-19-24/h3-4,7-13,18-19,23H,2,5-6,14-17,20-21H2,1H3,(H,31,34)
InChIKeyGCWHNLMIBHEEER-UHFFFAOYSA-N
MW470.62 g/mol
LogP4.78
Rot. Bonds9

About N-[3-cyclopropyl-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide

N-[3-cyclopropyl-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide (PubChem CID 127048198) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is N-[3-cyclopropyl-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide
PubChem CID127048198
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC NameN-[3-cyclopropyl-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide
SMILESCCN1CCN(Cc2ccc(NC(=O)COc3ccc(-c4cccnc4)cc3)cc2C2CC2)CC1
InChIInChI=1S/C29H34N4O2/c1-2-32-14-16-33(17-15-32)20-25-7-10-26(18-28(25)23-5-6-23)31-29(34)21-35-27-11-8-22(9-12-27)24-4-3-13-30-19-24/h3-4,7-13,18-19,23H,2,5-6,14-17,20-21H2,1H3,(H,31,34)
InChIKeyGCWHNLMIBHEEER-UHFFFAOYSA-N
XLogP4.78
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide?
The IUPAC name of N-[3-cyclopropyl-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide (CID 127048198) is N-[3-cyclopropyl-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide.
What is the SMILES notation for N-[3-cyclopropyl-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide?
The canonical SMILES for N-[3-cyclopropyl-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide is CCN1CCN(Cc2ccc(NC(=O)COc3ccc(-c4cccnc4)cc3)cc2C2CC2)CC1.
What is the InChIKey of N-[3-cyclopropyl-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide?
The InChIKey is GCWHNLMIBHEEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-2-32-14-16-33(17-15-32)20-25-7-10-26(18-28(25)23-5-6-23)31-29(34)21-35-27-11-8-22(9-12-27)24-4-3-13-30-19-24/h3-4,7-13,18-19,23H,2,5-6,14-17,20-21H2,1H3,(H,31,34).
What are the key properties of N-[3-cyclopropyl-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide?
N-[3-cyclopropyl-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide has a molecular weight of 470.62 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(4-pyridin-3-ylphenoxy)acetamide is sourced from PubChem (CID 127048198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).