N-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide

C19H32N4O2 — CID 113105254

IUPACN-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)N2CCN(CCCOC)CC2)cc1
InChIInChI=1S/C19H32N4O2/c1-4-22(5-2)18-9-7-17(8-10-18)20-19(24)23-14-12-21(13-15-23)11-6-16-25-3/h7-10H,4-6,11-16H2,1-3H3,(H,20,24)
InChIKeyZMGDQESRYDQFLX-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.72
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide

N-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide (PubChem CID 113105254) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide
PubChem CID113105254
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)N2CCN(CCCOC)CC2)cc1
InChIInChI=1S/C19H32N4O2/c1-4-22(5-2)18-9-7-17(8-10-18)20-19(24)23-14-12-21(13-15-23)11-6-16-25-3/h7-10H,4-6,11-16H2,1-3H3,(H,20,24)
InChIKeyZMGDQESRYDQFLX-UHFFFAOYSA-N
XLogP2.72
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105247
N-[4-(diethylamino)phenyl]-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110145
N-(4-ethylphenyl)-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104950
methyl 3-[[4-(3-methoxypropyl)piperazine-1-carbonyl]amino]benzoate
CID 113105249
4-(2-methoxyethyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113104985
N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide
CID 17184975
4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide
CID 72885784
N-[4-(methylamino)phenyl]-4-propylpiperazine-1-carboxamide
CID 59608963
4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105001
N-[4-(dimethylamino)phenyl]-4-ethylpiperazine-1-carboxamide
CID 108894833
N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105204
4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894759

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide (CID 113105254) is N-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide is CCN(CC)c1ccc(NC(=O)N2CCN(CCCOC)CC2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide?
The InChIKey is ZMGDQESRYDQFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-4-22(5-2)18-9-7-17(8-10-18)20-19(24)23-14-12-21(13-15-23)11-6-16-25-3/h7-10H,4-6,11-16H2,1-3H3,(H,20,24).
What are the key properties of N-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide?
N-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).