N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride

C17H24ClN5O — CID 120911721

IUPACN-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(CN2CCNCC2c2nccn2C)cc1.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-13(23)20-15-5-3-14(4-6-15)12-22-10-7-18-11-16(22)17-19-8-9-21(17)2;/h3-6,8-9,16,18H,7,10-12H2,1-2H3,(H,20,23);1H
InChIKeyNQQKITSCCDIXDY-UHFFFAOYSA-N
MW349.87 g/mol
LogP1.95
Rot. Bonds4

About N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride

N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride (PubChem CID 120911721) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
PubChem CID120911721
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC NameN-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(CN2CCNCC2c2nccn2C)cc1.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-13(23)20-15-5-3-14(4-6-15)12-22-10-7-18-11-16(22)17-19-8-9-21(17)2;/h3-6,8-9,16,18H,7,10-12H2,1-2H3,(H,20,23);1H
InChIKeyNQQKITSCCDIXDY-UHFFFAOYSA-N
XLogP1.95
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 120870641
N-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide
CID 120870835
2-(1-methylimidazol-2-yl)-1-[[4-(2-methylpropoxy)phenyl]methyl]piperazine;hydrochloride
CID 120911839
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 120870665
1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870987
methyl 5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1H-pyrrole-2-carboxylate
CID 120912318
2-(1-methylimidazol-2-yl)-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
CID 120871475
N-(5-chloro-2-pyridinyl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;dihydrochloride
CID 120870143
3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120912083
N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120768769
1-[(4-chloro-3-nitrophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120911725

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride (CID 120911721) is N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(CN2CCNCC2c2nccn2C)cc1.Cl.
What is the InChIKey of N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride?
The InChIKey is NQQKITSCCDIXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.ClH/c1-13(23)20-15-5-3-14(4-6-15)12-22-10-7-18-11-16(22)17-19-8-9-21(17)2;/h3-6,8-9,16,18H,7,10-12H2,1-2H3,(H,20,23);1H.
What are the key properties of N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride?
N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride has a molecular weight of 349.87 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 120911721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).