N-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide

C18H28N4O2 — CID 109045940

IUPACN-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCN(C)CCCNC(=O)c1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C18H28N4O2/c1-20(2)10-4-9-19-17(23)15-5-7-16(8-6-15)18(24)22-13-11-21(3)12-14-22/h5-8H,4,9-14H2,1-3H3,(H,19,23)
InChIKeyRBXYFZDGJZLGLE-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.76
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide

N-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide (PubChem CID 109045940) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
PubChem CID109045940
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
SMILESCN(C)CCCNC(=O)c1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C18H28N4O2/c1-20(2)10-4-9-19-17(23)15-5-7-16(8-6-15)18(24)22-13-11-21(3)12-14-22/h5-8H,4,9-14H2,1-3H3,(H,19,23)
InChIKeyRBXYFZDGJZLGLE-UHFFFAOYSA-N
XLogP0.76
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045407
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
N-[2-(4-fluorophenyl)ethyl]-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046101
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[3-(dimethylamino)propyl]benzamide
CID 109060231
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
4-chloro-N-[3-(dimethylamino)propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 50875412
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338
N-[3-(dimethylamino)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41455697
4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109084053

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide (CID 109045940) is N-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide is CN(C)CCCNC(=O)c1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide?
The InChIKey is RBXYFZDGJZLGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-20(2)10-4-9-19-17(23)15-5-7-16(8-6-15)18(24)22-13-11-21(3)12-14-22/h5-8H,4,9-14H2,1-3H3,(H,19,23).
What are the key properties of N-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide?
N-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide has a molecular weight of 332.45 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(4-methylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109045940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).