N-(dimethylaminomethylidene)-4-phenylpiperazine-1-carboxamide

C14H20N4O — CID 3771212

IUPACN-(dimethylaminomethylidene)-4-phenylpiperazine-1-carboxamide
SMILESCN(C)C=NC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H20N4O/c1-16(2)12-15-14(19)18-10-8-17(9-11-18)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyXKWAITIWPHKXTF-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.52
Rot. Bonds2

About N-(dimethylaminomethylidene)-4-phenylpiperazine-1-carboxamide

N-(dimethylaminomethylidene)-4-phenylpiperazine-1-carboxamide (PubChem CID 3771212) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(dimethylaminomethylidene)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(dimethylaminomethylidene)-4-phenylpiperazine-1-carboxamide
PubChem CID3771212
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(dimethylaminomethylidene)-4-phenylpiperazine-1-carboxamide
SMILESCN(C)C=NC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C14H20N4O/c1-16(2)12-15-14(19)18-10-8-17(9-11-18)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyXKWAITIWPHKXTF-UHFFFAOYSA-N
XLogP1.52
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N,4-diphenylpiperazine-1-carboxamide
CID 890140
2-oxo-2-(4-phenylpiperazin-1-yl)acetate
CID 2051799
1,1-dimethyl-3-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 110348022
4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde
CID 108530923
N-methyl-3-oxo-N-phenyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 108949403
1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione
CID 2200683
1-(4-phenylpiperazin-1-yl)butane-1,2-dione
CID 70905363
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 110371190
(4,5-dimethylthiophen-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 17193912
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
[3-(dimethylamino)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 2598413

Frequently Asked Questions

What is the IUPAC name of N-(dimethylaminomethylidene)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(dimethylaminomethylidene)-4-phenylpiperazine-1-carboxamide (CID 3771212) is N-(dimethylaminomethylidene)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(dimethylaminomethylidene)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(dimethylaminomethylidene)-4-phenylpiperazine-1-carboxamide is CN(C)C=NC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-(dimethylaminomethylidene)-4-phenylpiperazine-1-carboxamide?
The InChIKey is XKWAITIWPHKXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-16(2)12-15-14(19)18-10-8-17(9-11-18)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of N-(dimethylaminomethylidene)-4-phenylpiperazine-1-carboxamide?
N-(dimethylaminomethylidene)-4-phenylpiperazine-1-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylaminomethylidene)-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 3771212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).