4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide

C16H26N4O — CID 113078773

IUPAC4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C16H26N4O/c1-13(2)17-16(21)20-11-9-19(10-12-20)15-7-5-14(6-8-15)18(3)4/h5-8,13H,9-12H2,1-4H3,(H,17,21)
InChIKeySEDBHVOKIVWGRH-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.99
Rot. Bonds3

About 4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide

4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 113078773) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID113078773
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C16H26N4O/c1-13(2)17-16(21)20-11-9-19(10-12-20)15-7-5-14(6-8-15)18(3)4/h5-8,13H,9-12H2,1-4H3,(H,17,21)
InChIKeySEDBHVOKIVWGRH-UHFFFAOYSA-N
XLogP1.99
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 113076586
4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 155453460
1-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-3-methylbutan-1-one
CID 113078712
4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112737
cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 113078713
4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43461737
4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111579
methyl 4-[[4-[4-(dimethylamino)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 113114384
N-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 113114419
N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111759
4-(4-fluorophenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazine-1-carboxamide
CID 53370215
tert-butyl 4-[4-(dimethylamino)phenyl]-1,4-diazepane-1-carboxylate
CID 69363807

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide (CID 113078773) is 4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCN(c2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is SEDBHVOKIVWGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13(2)17-16(21)20-11-9-19(10-12-20)15-7-5-14(6-8-15)18(3)4/h5-8,13H,9-12H2,1-4H3,(H,17,21).
What are the key properties of 4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide?
4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 113078773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).