N,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide

C17H27N5O — CID 110961891

IUPACN,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide
SMILESC/N=C(\NCCC(=O)N(C)C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H27N5O/c1-18-17(19-10-9-16(23)20(2)3)22-13-11-21(12-14-22)15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,18,19)
InChIKeyXRXYRKDNZBVRFV-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.86
Rot. Bonds4

About N,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide

N,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide (PubChem CID 110961891) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide
PubChem CID110961891
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide
SMILESC/N=C(\NCCC(=O)N(C)C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H27N5O/c1-18-17(19-10-9-16(23)20(2)3)22-13-11-21(12-14-22)15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,18,19)
InChIKeyXRXYRKDNZBVRFV-UHFFFAOYSA-N
XLogP0.86
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide
CID 111148259
N-benzyl-3-[[C-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-methylpropanamide;hydroiodide
CID 111242850
2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110961763
tert-butyl N-[2-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]ethyl]carbamate
CID 110962149
N-[2-(diethylsulfamoyl)ethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 111546909
N-(2-methoxyethyl)-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961380
N'-methyl-4-phenyl-N-(3,3,3-trifluoropropyl)piperazine-1-carboximidamide
CID 111546845
N'-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961354
N'-methyl-N-[3-(2-methylpiperidin-1-yl)-3-oxopropyl]-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961532
1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 110371190
N-[2-(benzenesulfonyl)ethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961518
N-[3-[ethyl(methylsulfonyl)amino]propyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962140

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide (CID 110961891) is N,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide is C/N=C(\NCCC(=O)N(C)C)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide?
The InChIKey is XRXYRKDNZBVRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-18-17(19-10-9-16(23)20(2)3)22-13-11-21(12-14-22)15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,18,19).
What are the key properties of N,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide?
N,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide has a molecular weight of 317.44 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[N-methyl-C-(4-phenylpiperazin-1-yl)carbonimidoyl]amino]propanamide is sourced from PubChem (CID 110961891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).