4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide

C20H29ClN4O — CID 3297635

IUPAC4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
SMILESC=CCN(CC=C)CCN1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C20H29ClN4O/c1-4-8-23(9-5-2)10-11-24-12-14-25(15-13-24)20(26)22-18-7-6-17(3)19(21)16-18/h4-7,16H,1-2,8-15H2,3H3,(H,22,26)
InChIKeySADMZVZBDGHJEU-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.47
Rot. Bonds8

About 4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide

4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide (PubChem CID 3297635) has the molecular formula C20H29ClN4O and a molecular weight of 376.93 g/mol. Its IUPAC name is 4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
PubChem CID3297635
Molecular FormulaC20H29ClN4O
Molecular Weight376.93 g/mol
Exact Mass376.20
IUPAC Name4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
SMILESC=CCN(CC=C)CCN1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1
InChIInChI=1S/C20H29ClN4O/c1-4-8-23(9-5-2)10-11-24-12-14-25(15-13-24)20(26)22-18-7-6-17(3)19(21)16-18/h4-7,16H,1-2,8-15H2,3H3,(H,22,26)
InChIKeySADMZVZBDGHJEU-UHFFFAOYSA-N
XLogP3.47
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 54818050
N-(3-chloro-4-methylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113107888
N-(3-chloro-4-methylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3717878
N-(3-chloro-4-methylphenyl)-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106860
4-acetyl-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23907940
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
3-(3-chloro-4-methylphenyl)-1-methyl-1-(2-piperazin-1-ylethyl)urea
CID 63265423
N-(3-chloro-4-methylphenyl)-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide
CID 55768358
N-(3-chloro-4-methylphenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 80703460
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
N-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 63310216
4-[(2-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113107729

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide (CID 3297635) is 4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide is C=CCN(CC=C)CCN1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1.
What is the InChIKey of 4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is SADMZVZBDGHJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O/c1-4-8-23(9-5-2)10-11-24-12-14-25(15-13-24)20(26)22-18-7-6-17(3)19(21)16-18/h4-7,16H,1-2,8-15H2,3H3,(H,22,26).
What are the key properties of 4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide?
4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 376.93 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 3297635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).