4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide

C16H25N5O2 — CID 119391112

IUPAC4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
SMILESNC(=O)NCc1ccc(C(=O)NCCCN2CCNCC2)cc1
InChIInChI=1S/C16H25N5O2/c17-16(23)20-12-13-2-4-14(5-3-13)15(22)19-6-1-9-21-10-7-18-8-11-21/h2-5,18H,1,6-12H2,(H,19,22)(H3,17,20,23)
InChIKeyKRVMKPPKDGRTDJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP-0.12
Rot. Bonds7

About 4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide

4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 119391112) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID119391112
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
SMILESNC(=O)NCc1ccc(C(=O)NCCCN2CCNCC2)cc1
InChIInChI=1S/C16H25N5O2/c17-16(23)20-12-13-2-4-14(5-3-13)15(22)19-6-1-9-21-10-7-18-8-11-21/h2-5,18H,1,6-12H2,(H,19,22)(H3,17,20,23)
InChIKeyKRVMKPPKDGRTDJ-UHFFFAOYSA-N
XLogP-0.12
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119390903
4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391361
4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 90338095
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
1-benzyl-3-(3-piperazin-1-ylpropyl)urea
CID 107653368
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide (CID 119391112) is 4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide is NC(=O)NCc1ccc(C(=O)NCCCN2CCNCC2)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is KRVMKPPKDGRTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c17-16(23)20-12-13-2-4-14(5-3-13)15(22)19-6-1-9-21-10-7-18-8-11-21/h2-5,18H,1,6-12H2,(H,19,22)(H3,17,20,23).
What are the key properties of 4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide?
4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 319.41 g/mol, XLogP of -0.12, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 119391112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).