N-[2-[4-[(3-ethylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide

C18H29N3O — CID 118362507

IUPACN-[2-[4-[(3-ethylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide
SMILESCCc1cccc(CN2CCN(CCN(C)C(C)=O)CC2)c1
InChIInChI=1S/C18H29N3O/c1-4-17-6-5-7-18(14-17)15-21-12-10-20(11-13-21)9-8-19(3)16(2)22/h5-7,14H,4,8-13,15H2,1-3H3
InChIKeyQPQOUJZGAVUOBH-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.84
Rot. Bonds6

About N-[2-[4-[(3-ethylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide

N-[2-[4-[(3-ethylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide (PubChem CID 118362507) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[2-[4-[(3-ethylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-[4-[(3-ethylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide
PubChem CID118362507
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[2-[4-[(3-ethylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide
SMILESCCc1cccc(CN2CCN(CCN(C)C(C)=O)CC2)c1
InChIInChI=1S/C18H29N3O/c1-4-17-6-5-7-18(14-17)15-21-12-10-20(11-13-21)9-8-19(3)16(2)22/h5-7,14H,4,8-13,15H2,1-3H3
InChIKeyQPQOUJZGAVUOBH-UHFFFAOYSA-N
XLogP1.84
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62886075
1-[(3-ethylphenyl)methyl]-4-methylsulfonylpiperazine
CID 118549589
1-[(3-ethylphenyl)methyl]-4-propan-2-ylsulfonylpiperazine
CID 123477126
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 60691696
N-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62425610
N-[3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 110921338
4-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123169079
N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
CID 170866061
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897
N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide
CID 109020407
(3R,4S)-1-[(3-ethylphenyl)methyl]-3,4-dimethylpyrrolidine
CID 145294189
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 2842776

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3-ethylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide?
The IUPAC name of N-[2-[4-[(3-ethylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide (CID 118362507) is N-[2-[4-[(3-ethylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-[4-[(3-ethylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-[4-[(3-ethylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide is CCc1cccc(CN2CCN(CCN(C)C(C)=O)CC2)c1.
What is the InChIKey of N-[2-[4-[(3-ethylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide?
The InChIKey is QPQOUJZGAVUOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-4-17-6-5-7-18(14-17)15-21-12-10-20(11-13-21)9-8-19(3)16(2)22/h5-7,14H,4,8-13,15H2,1-3H3.
What are the key properties of N-[2-[4-[(3-ethylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide?
N-[2-[4-[(3-ethylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide has a molecular weight of 303.45 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3-ethylphenyl)methyl]piperazin-1-yl]ethyl]-N-methylacetamide is sourced from PubChem (CID 118362507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).