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

C17H27N3O — CID 171304592

IUPACN-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide
SMILESCCC(C)[C@H](c1ccc(NC(C)=O)cc1)N1CCNCC1
InChIInChI=1S/C17H27N3O/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)/t13?,17-/m1/s1
InChIKeyPRLQJLGKIKBBJM-LRHAYUFXSA-N
MW289.42 g/mol
LogP2.64
Rot. Bonds5

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

N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide (PubChem CID 171304592) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide
PubChem CID171304592
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide
SMILESCCC(C)[C@H](c1ccc(NC(C)=O)cc1)N1CCNCC1
InChIInChI=1S/C17H27N3O/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)/t13?,17-/m1/s1
InChIKeyPRLQJLGKIKBBJM-LRHAYUFXSA-N
XLogP2.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.64
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;dihydrochloride
CID 171304593
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-[(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
1-[(1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]butyl]piperazine
CID 171304266
1-[(1S)-2-methyl-1-(4-nitrophenyl)butyl]piperazine;dihydrochloride
CID 171304997
N-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide
CID 171306857
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)-1-(furan-3-yl)-2-methylbutyl]piperazine
CID 171304796
1-[(1R)-2-methyl-1-naphthalen-2-ylbutyl]piperazine
CID 171304370

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide?
The IUPAC name of N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide (CID 171304592) is N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide is CCC(C)[C@H](c1ccc(NC(C)=O)cc1)N1CCNCC1.
What is the InChIKey of N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide?
The InChIKey is PRLQJLGKIKBBJM-LRHAYUFXSA-N. The full InChI is InChI=1S/C17H27N3O/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)/t13?,17-/m1/s1.
What are the key properties of N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide?
N-[4-[(1R)-2-methyl-1-piperazin-1-ylbutyl]phenyl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.64, 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 is sourced from PubChem (CID 171304592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).