N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide

C22H30N4O — CID 174378709

IUPACN-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(CN2CCN(c3cccc(CN)c3)CC2)cc1
InChIInChI=1S/C22H30N4O/c1-18(27)24-10-9-19-5-7-20(8-6-19)17-25-11-13-26(14-12-25)22-4-2-3-21(15-22)16-23/h2-8,15H,9-14,16-17,23H2,1H3,(H,24,27)
InChIKeyROGVJCSMEJEBRA-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.15
Rot. Bonds7

About N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide

N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide (PubChem CID 174378709) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide
PubChem CID174378709
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(CN2CCN(c3cccc(CN)c3)CC2)cc1
InChIInChI=1S/C22H30N4O/c1-18(27)24-10-9-19-5-7-20(8-6-19)17-25-11-13-26(14-12-25)22-4-2-3-21(15-22)16-23/h2-8,15H,9-14,16-17,23H2,1H3,(H,24,27)
InChIKeyROGVJCSMEJEBRA-UHFFFAOYSA-N
XLogP2.15
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide
CID 142872622
N-[2-[2-amino-4-[(4-phenylpiperazin-1-yl)methyl]phenyl]ethyl]acetamide
CID 174432133
N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride
CID 174377053
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]methanamine
CID 18070769
N-[2-[4-[[4-(2-bromo-4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide
CID 174367800
N-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]acetamide
CID 102814279
N-[2-[4-[1-hydroxy-2-(4-phenylpiperazin-1-yl)ethyl]phenyl]ethyl]acetamide
CID 139880412
[3-(4-propylpiperazin-1-yl)phenyl]methanamine
CID 102813325
N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108907
N-[2-[4-[[4-(4-fluoro-2-propan-2-ylphenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride
CID 174378267
N-[[3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108735
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide (CID 174378709) is N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(CN2CCN(c3cccc(CN)c3)CC2)cc1.
What is the InChIKey of N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide?
The InChIKey is ROGVJCSMEJEBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-18(27)24-10-9-19-5-7-20(8-6-19)17-25-11-13-26(14-12-25)22-4-2-3-21(15-22)16-23/h2-8,15H,9-14,16-17,23H2,1H3,(H,24,27).
What are the key properties of N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide?
N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide has a molecular weight of 366.51 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 174378709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).