N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide;dihydrochloride

C17H29Cl2N3O — CID 171304593

IUPACN-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide;dihydrochloride
SMILESCCC(C)[C@H](c1ccc(NC(C)=O)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-4-13(2)17(20-11-9-18-10-12-20)15-5-7-16(8-6-15)19-14(3)21;;/h5-8,13,17-18H,4,9-12H2,1-3H3,(H,19,21);2*1H/t13?,17-;;/m1../s1
InChIKeyYCKZOSOESZAYLX-YRXUTTOUSA-N
MW362.35 g/mol
LogP3.48
Rot. Bonds5

About N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide;dihydrochloride

N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide;dihydrochloride (PubChem CID 171304593) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide;dihydrochloride
PubChem CID171304593
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC NameN-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide;dihydrochloride
SMILESCCC(C)[C@H](c1ccc(NC(C)=O)cc1)N1CCNCC1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-4-13(2)17(20-11-9-18-10-12-20)15-5-7-16(8-6-15)19-14(3)21;;/h5-8,13,17-18H,4,9-12H2,1-3H3,(H,19,21);2*1H/t13?,17-;;/m1../s1
InChIKeyYCKZOSOESZAYLX-YRXUTTOUSA-N
XLogP3.48
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide
CID 171304592
4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171304229
N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride
CID 171183073
1-[(1S)-2-methyl-1-(4-nitrophenyl)butyl]piperazine;dihydrochloride
CID 171304997
1-[(1R)-2-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butyl]piperazine
CID 171304664
1-[(1R)-2-methyl-1-(4-methylsulfanylphenyl)butyl]piperazine
CID 171304812
N-[4-[(R)-cyclopropyl(piperazin-1-yl)methyl]phenyl]acetamide;dihydrochloride
CID 171291177
N-[4-[(1R)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenyl]acetamide;dihydrochloride
CID 171303739
1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171304266
1-[(1S)-1-(3,4-dibromophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305673
N-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide
CID 171306857
N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide;dihydrochloride
CID 171291189

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide;dihydrochloride?
The IUPAC name of N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide;dihydrochloride (CID 171304593) is N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide;dihydrochloride.
What is the SMILES notation for N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide;dihydrochloride?
The canonical SMILES for N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide;dihydrochloride is CCC(C)[C@H](c1ccc(NC(C)=O)cc1)N1CCNCC1.Cl.Cl.
What is the InChIKey of N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide;dihydrochloride?
The InChIKey is YCKZOSOESZAYLX-YRXUTTOUSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-4-13(2)17(20-11-9-18-10-12-20)15-5-7-16(8-6-15)19-14(3)21;;/h5-8,13,17-18H,4,9-12H2,1-3H3,(H,19,21);2*1H/t13?,17-;;/m1../s1.
What are the key properties of N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide;dihydrochloride?
N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 171304593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).