4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide

C14H22N4O — CID 43461737

IUPAC4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C14H22N4O/c1-11(2)16-14(19)18-8-6-17(7-9-18)13-5-3-4-12(15)10-13/h3-5,10-11H,6-9,15H2,1-2H3,(H,16,19)
InChIKeyWRLNQVLHFPHJHV-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.51
Rot. Bonds2

About 4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide

4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 43461737) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID43461737
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C14H22N4O/c1-11(2)16-14(19)18-8-6-17(7-9-18)13-5-3-4-12(15)10-13/h3-5,10-11H,6-9,15H2,1-2H3,(H,16,19)
InChIKeyWRLNQVLHFPHJHV-UHFFFAOYSA-N
XLogP1.51
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide
CID 43461736
4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide
CID 43461735
1-[4-(3-aminophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 43461708
4-(3-aminophenyl)-N,N-diethylpiperazine-1-carboxamide
CID 79153554
4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 113076586
methyl 2-[[4-(3-chlorophenyl)piperazine-1-carbonyl]amino]-3-methylbutanoate
CID 3957217
4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 113078773
4-(3-chlorophenyl)-N-[(1S)-1-cyclopropylethyl]piperazine-1-carboxamide
CID 41355861
4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide
CID 113104364
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide
CID 113104404

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide (CID 43461737) is 4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCN(c2cccc(N)c2)CC1.
What is the InChIKey of 4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is WRLNQVLHFPHJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11(2)16-14(19)18-8-6-17(7-9-18)13-5-3-4-12(15)10-13/h3-5,10-11H,6-9,15H2,1-2H3,(H,16,19).
What are the key properties of 4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide?
4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 43461737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).