4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide

C17H27N5O2 — CID 113105854

IUPAC4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
SMILESCC(=O)Nc1cccc(N2CCN(C(=O)NCCN(C)C)CC2)c1
InChIInChI=1S/C17H27N5O2/c1-14(23)19-15-5-4-6-16(13-15)21-9-11-22(12-10-21)17(24)18-7-8-20(2)3/h4-6,13H,7-12H2,1-3H3,(H,18,24)(H,19,23)
InChIKeyCMXFXLYASOLEDP-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.04
Rot. Bonds5

About 4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide

4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide (PubChem CID 113105854) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
PubChem CID113105854
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
SMILESCC(=O)Nc1cccc(N2CCN(C(=O)NCCN(C)C)CC2)c1
InChIInChI=1S/C17H27N5O2/c1-14(23)19-15-5-4-6-16(13-15)21-9-11-22(12-10-21)17(24)18-7-8-20(2)3/h4-6,13H,7-12H2,1-3H3,(H,18,24)(H,19,23)
InChIKeyCMXFXLYASOLEDP-UHFFFAOYSA-N
XLogP1.04
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide
CID 113103906
4-(3-acetamidophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105364
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride
CID 22163785
N-[3-[4-[4-(dimethylamino)butyl]piperazin-1-yl]phenyl]acetamide
CID 142930531
4-(3-acetamidophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107155
4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 22107953
4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106787
N-[3-(dimethylamino)propyl]-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113106335
4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide
CID 113104364
4-(4-bromo-3-methylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105872
4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 14763494
N-[3-(4-butanoylpiperazin-1-yl)phenyl]acetamide
CID 113078194

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide (CID 113105854) is 4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide is CC(=O)Nc1cccc(N2CCN(C(=O)NCCN(C)C)CC2)c1.
What is the InChIKey of 4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
The InChIKey is CMXFXLYASOLEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-14(23)19-15-5-4-6-16(13-15)21-9-11-22(12-10-21)17(24)18-7-8-20(2)3/h4-6,13H,7-12H2,1-3H3,(H,18,24)(H,19,23).
What are the key properties of 4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113105854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).