N-[[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methyl]acetamide

C26H31N5O2 — CID 164624388

IUPACN-[[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CN)cc2)cc1
InChIInChI=1S/C26H31N5O2/c1-18(32)29-15-20-4-8-22(9-5-20)25-26(23-6-2-19(14-27)3-7-23)31-24(16-30-25)33-17-21-10-12-28-13-11-21/h2-9,16,21,28H,10-15,17,27H2,1H3,(H,29,32)
InChIKeyXGVAJVYVTIDEFR-UHFFFAOYSA-N
MW445.57 g/mol
LogP3.28
Rot. Bonds8

About N-[[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methyl]acetamide

N-[[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methyl]acetamide (PubChem CID 164624388) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-[[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methyl]acetamide
PubChem CID164624388
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC NameN-[[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CN)cc2)cc1
InChIInChI=1S/C26H31N5O2/c1-18(32)29-15-20-4-8-22(9-5-20)25-26(23-6-2-19(14-27)3-7-23)31-24(16-30-25)33-17-21-10-12-28-13-11-21/h2-9,16,21,28H,10-15,17,27H2,1H3,(H,29,32)
InChIKeyXGVAJVYVTIDEFR-UHFFFAOYSA-N
XLogP3.28
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[3-[4-(Oxolan-3-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
CID 155194240
[4-[3-[6-(Oxan-4-yl)-3-pyridinyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
CID 155194366
[4-[3-[4-(Oxan-4-yl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
CID 155194384
[4-[6-(Piperidin-4-ylmethoxy)-3-pyridin-4-ylpyrazin-2-yl]phenyl]methanamine
CID 155194392
2-(5-methylpyrazin-2-yl)oxy-N-[4-[2-[2-(3,3,3-trifluoropropyl)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]acetamide
CID 156058526
4-[3-(4-Bromophenyl)-6-(piperidin-4-ylmethoxy)pyrazin-2-yl]benzonitrile
CID 127024953
3-[2-[4-(2-phenyl-3-pyridinyl)piperazin-1-yl]ethoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 134146185
[4-[3-[4-(Hydroxymethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanol
CID 164612234
1-[4-[3-[4-[(dimethylamino)methyl]phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]-N,N-dimethylmethanamine
CID 164612593
[4-[3-(4-Piperazin-1-ylphenyl)-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
CID 164617596
2,3-Bis(4-iodophenyl)-5-(piperidin-4-ylmethoxy)pyrazine
CID 164621433
[4-[3-[4-(Aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methanamine
CID 164623106

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methyl]acetamide (CID 164624388) is N-[[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(CN)cc2)cc1.
What is the InChIKey of N-[[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methyl]acetamide?
The InChIKey is XGVAJVYVTIDEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-18(32)29-15-20-4-8-22(9-5-20)25-26(23-6-2-19(14-27)3-7-23)31-24(16-30-25)33-17-21-10-12-28-13-11-21/h2-9,16,21,28H,10-15,17,27H2,1H3,(H,29,32).
What are the key properties of N-[[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methyl]acetamide?
N-[[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methyl]acetamide has a molecular weight of 445.57 g/mol, XLogP of 3.28, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-[4-(aminomethyl)phenyl]-5-(piperidin-4-ylmethoxy)pyrazin-2-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 164624388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).