N-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide

C18H30N4O — CID 142930531

IUPACN-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(CCCCN(C)C)CC2)c1
InChIInChI=1S/C18H30N4O/c1-16(23)19-17-7-6-8-18(15-17)22-13-11-21(12-14-22)10-5-4-9-20(2)3/h6-8,15H,4-5,9-14H2,1-3H3,(H,19,23)
InChIKeyREKZXRWHMAFVFM-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.11
Rot. Bonds7

About N-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide

N-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide (PubChem CID 142930531) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide
PubChem CID142930531
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCN(CCCCN(C)C)CC2)c1
InChIInChI=1S/C18H30N4O/c1-16(23)19-17-7-6-8-18(15-17)22-13-11-21(12-14-22)10-5-4-9-20(2)3/h6-8,15H,4-5,9-14H2,1-3H3,(H,19,23)
InChIKeyREKZXRWHMAFVFM-UHFFFAOYSA-N
XLogP2.11
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105854
formaldehyde;N-[3-[4-[4-(methylamino)butyl]piperazin-1-yl]phenyl]acetamide;1,4-xylene
CID 142930555
N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
CID 113078194
1-[3-(2,2-dimethylpropanoylamino)phenyl]-4-[4-(4-methyl-N-sulfinatoanilino)butyl]piperazine
CID 67013257
4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide
CID 113103906
N-[4-[4-(3-acetamidophenyl)piperazin-1-yl]butyl]-6-chloro-2H-chromene-3-carboxamide
CID 59178321
N-[3-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 113078217
N-[3-(4-propylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 113078258
4-[4-[3-(methanesulfonamido)phenyl]piperazin-1-yl]butanamide
CID 68546178
4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide
CID 113104364
3-[methyl-[(3-pyrrolidin-1-ylphenyl)carbamoyl]amino]propanoic acid
CID 122078062
4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105364

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide (CID 142930531) is N-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1cccc(N2CCN(CCCCN(C)C)CC2)c1.
What is the InChIKey of N-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide?
The InChIKey is REKZXRWHMAFVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-16(23)19-17-7-6-8-18(15-17)22-13-11-21(12-14-22)10-5-4-9-20(2)3/h6-8,15H,4-5,9-14H2,1-3H3,(H,19,23).
What are the key properties of N-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide?
N-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide has a molecular weight of 318.47 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 142930531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).