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

C17H28N4O — CID 14739

IUPACN-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(CCCN(C)C)CC2)cc1
InChIInChI=1S/C17H28N4O/c1-15(22)18-16-5-7-17(8-6-16)21-13-11-20(12-14-21)10-4-9-19(2)3/h5-8H,4,9-14H2,1-3H3,(H,18,22)
InChIKeyDPCSPGOPQYRPCP-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.72
Rot. Bonds6

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

N-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]phenyl]acetamide (PubChem CID 14739) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]phenyl]acetamide
PubChem CID14739
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2CCN(CCCN(C)C)CC2)cc1
InChIInChI=1S/C17H28N4O/c1-15(22)18-16-5-7-17(8-6-16)21-13-11-20(12-14-21)10-4-9-19(2)3/h5-8H,4,9-14H2,1-3H3,(H,18,22)
InChIKeyDPCSPGOPQYRPCP-UHFFFAOYSA-N
XLogP1.72
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-Aminoacetanilide
CID 31230
4-(N-Propionylaniline)piperidine
CID 259381
2-Aminoacetanilide
CID 208384
4-(4-Ethylpiperazin-1-yl)aniline
CID 936738
3-Fluoro-4-(4-methylpiperazin-1-yl)aniline
CID 2783055
N-[4-(phenylamino)phenyl]acetamide
CID 789635
N,N'-diacetyl-p-phenylenediamine
CID 67324
Phenampromide
CID 8523
2-Aminoacetanilide hydrochloride
CID 458752
Acetamide, N-[3-(diethylamino)phenyl]-
CID 80778
4-(4-Methylpiperazin-1-yl)aniline
CID 737253
3-(4-Phenylpiperazin-1-yl)propan-1-amine
CID 261297

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]phenyl]acetamide (CID 14739) is N-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2CCN(CCCN(C)C)CC2)cc1.
What is the InChIKey of N-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]phenyl]acetamide?
The InChIKey is DPCSPGOPQYRPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-15(22)18-16-5-7-17(8-6-16)21-13-11-20(12-14-21)10-4-9-19(2)3/h5-8H,4,9-14H2,1-3H3,(H,18,22).
What are the key properties of N-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]phenyl]acetamide?
N-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]phenyl]acetamide has a molecular weight of 304.44 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(dimethylamino)propyl]piperazin-1-yl]phenyl]acetamide is sourced from PubChem (CID 14739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).