N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide

C23H29N3O3 — CID 109045294

IUPACN-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide
SMILESCOCCCNC(=O)c1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-18-5-3-6-21(17-18)25-12-14-26(15-13-25)23(28)20-9-7-19(8-10-20)22(27)24-11-4-16-29-2/h3,5-10,17H,4,11-16H2,1-2H3,(H,24,27)
InChIKeyNMXWDMTWXOAFIG-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.72
Rot. Bonds7

About N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide

N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide (PubChem CID 109045294) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide
PubChem CID109045294
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide
SMILESCOCCCNC(=O)c1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-18-5-3-6-21(17-18)25-12-14-26(15-13-25)23(28)20-9-7-19(8-10-20)22(27)24-11-4-16-29-2/h3,5-10,17H,4,11-16H2,1-2H3,(H,24,27)
InChIKeyNMXWDMTWXOAFIG-UHFFFAOYSA-N
XLogP2.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.72
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-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109082685
[2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109167191
4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051711
N-(2-methoxyethoxymethyl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108894510
N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109324073
[5-(3-methoxypropylamino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109184425
N-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108505043
N-(3-methoxypropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109300202
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
[2-(3-methoxypropylamino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109300021
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885248
N-(2-methoxyethyl)-2,2-dimethyl-3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108959490

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide (CID 109045294) is N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide is COCCCNC(=O)c1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide?
The InChIKey is NMXWDMTWXOAFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-18-5-3-6-21(17-18)25-12-14-26(15-13-25)23(28)20-9-7-19(8-10-20)22(27)24-11-4-16-29-2/h3,5-10,17H,4,11-16H2,1-2H3,(H,24,27).
What are the key properties of N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide?
N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide has a molecular weight of 395.50 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide is sourced from PubChem (CID 109045294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).