4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide

C19H30N4O — CID 113103750

IUPAC4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(c2ccc(N(CC)CC)cc2C)CC1
InChIInChI=1S/C19H30N4O/c1-5-10-20-19(24)23-13-11-22(12-14-23)18-9-8-17(15-16(18)4)21(6-2)7-3/h5,8-9,15H,1,6-7,10-14H2,2-4H3,(H,20,24)
InChIKeyDFUIOKLNULRAGC-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.86
Rot. Bonds6

About 4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide

4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide (PubChem CID 113103750) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide
PubChem CID113103750
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCNC(=O)N1CCN(c2ccc(N(CC)CC)cc2C)CC1
InChIInChI=1S/C19H30N4O/c1-5-10-20-19(24)23-13-11-22(12-14-23)18-9-8-17(15-16(18)4)21(6-2)7-3/h5,8-9,15H,1,6-7,10-14H2,2-4H3,(H,20,24)
InChIKeyDFUIOKLNULRAGC-UHFFFAOYSA-N
XLogP2.86
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104139
4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106359
4-[4-(diethylamino)-2-methylphenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105145
1-[4-[4-(diethylamino)-2-methylphenyl]piperazin-1-yl]ethanone
CID 113080662
4-[4-(diethylamino)-2-methylphenyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108473
N-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide
CID 113080706
4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
CID 3746757
1-[4-[4-(diethylamino)-2-methylphenyl]piperazin-1-yl]-2-phenoxyethanone
CID 113080691
4-(3-bromo-4-methylphenyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 113103702
N,N-diethyl-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)aniline
CID 113080714
4-[2-chloro-5-(trifluoromethyl)phenyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 113103718
4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 113103755

Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of 4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide (CID 113103750) is 4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for 4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide is C=CCNC(=O)N1CCN(c2ccc(N(CC)CC)cc2C)CC1.
What is the InChIKey of 4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is DFUIOKLNULRAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-5-10-20-19(24)23-13-11-22(12-14-23)18-9-8-17(15-16(18)4)21(6-2)7-3/h5,8-9,15H,1,6-7,10-14H2,2-4H3,(H,20,24).
What are the key properties of 4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide?
4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylamino)-2-methylphenyl]-N-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 113103750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).