1-acetyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide

C19H28N4O2 — CID 110686171

IUPAC1-acetyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)C1
InChIInChI=1S/C19H28N4O2/c1-15(24)23-9-3-4-16(14-23)19(25)20-17-5-7-18(8-6-17)22-12-10-21(2)11-13-22/h5-8,16H,3-4,9-14H2,1-2H3,(H,20,25)
InChIKeyOYJGYGGHSYDXSZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.64
Rot. Bonds3

About 1-acetyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide

1-acetyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 110686171) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-acetyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID110686171
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-acetyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)C1
InChIInChI=1S/C19H28N4O2/c1-15(24)23-9-3-4-16(14-23)19(25)20-17-5-7-18(8-6-17)22-12-10-21(2)11-13-22/h5-8,16H,3-4,9-14H2,1-2H3,(H,20,25)
InChIKeyOYJGYGGHSYDXSZ-UHFFFAOYSA-N
XLogP1.64
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.64
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

1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 110686168
N-[4-(4-methylpiperazin-1-yl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 50945875
(3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide
CID 9207172
N-[4-(4-methylpiperazin-1-yl)phenyl]azepane-1-carboxamide
CID 108991074
2-(azepane-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 109140745
(3R)-1-(4-chlorophenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide
CID 30331284
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
N-[4-(4-methylpiperazin-1-yl)phenyl]thiolane-3-carboxamide
CID 110862464
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]cyclohexanecarboxamide
CID 1055952

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide (CID 110686171) is 1-acetyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)C1.
What is the InChIKey of 1-acetyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is OYJGYGGHSYDXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15(24)23-9-3-4-16(14-23)19(25)20-17-5-7-18(8-6-17)22-12-10-21(2)11-13-22/h5-8,16H,3-4,9-14H2,1-2H3,(H,20,25).
What are the key properties of 1-acetyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide?
1-acetyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 110686171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).