N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-3-methoxybenzamide

C24H33N3O2 — CID 10430816

IUPACN-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCCN2CCN(c3cccc(C)c3C)CC2)c1
InChIInChI=1S/C24H33N3O2/c1-19-8-6-11-23(20(19)2)27-16-14-26(15-17-27)13-5-4-12-25-24(28)21-9-7-10-22(18-21)29-3/h6-11,18H,4-5,12-17H2,1-3H3,(H,25,28)
InChIKeyHDEPBPKSVYTTAM-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.64
Rot. Bonds8

About N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-3-methoxybenzamide

N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-3-methoxybenzamide (PubChem CID 10430816) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-3-methoxybenzamide
PubChem CID10430816
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCCCN2CCN(c3cccc(C)c3C)CC2)c1
InChIInChI=1S/C24H33N3O2/c1-19-8-6-11-23(20(19)2)27-16-14-26(15-17-27)13-5-4-12-25-24(28)21-9-7-10-22(18-21)29-3/h6-11,18H,4-5,12-17H2,1-3H3,(H,25,28)
InChIKeyHDEPBPKSVYTTAM-UHFFFAOYSA-N
XLogP3.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.64
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

Encainide
CID 48041
N1-acetyl-N2-formyl-5-methoxykynuramine
CID 171161
Encainide Hydrochloride
CID 48040
GR-103691
CID 4302960
(S)-3,4-Dihydro-1-[2-[4-(4-methoxyphenyl)-1-piperazinyl]ethyl]-N-methyl-1H-2-benzopyran-6-carboxamide
CID 9909448
Methyl 3-[(3-methoxybenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoate
CID 6457069
N-(2-(4-(4-Chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide
CID 3626837
Benzamide, N-(1-naphthyl)-3-methoxy-
CID 531845
4-methoxy-N-[4-(4-methyl-1-piperazinyl)phenyl]benzamide
CID 3154679
4-fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
CID 131906
(2S)-4-cyclohexyl-N-[(2S)-1-(5-fluoro-2,3-dihydro-1H-indol-1-yl)-4-methylpentan-2-yl]-2-[(3-methoxyphenyl)formamido]butanamide
CID 11226457
(2S)-4-cyclohexyl-N-[(1S)-2-(5-fluoro-2,3-dihydro-1H-indol-1-yl)-1-phenylethyl]-2-[(3-methoxyphenyl)formamido]butanamide
CID 11295906

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-3-methoxybenzamide?
The IUPAC name of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-3-methoxybenzamide (CID 10430816) is N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCCCN2CCN(c3cccc(C)c3C)CC2)c1.
What is the InChIKey of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-3-methoxybenzamide?
The InChIKey is HDEPBPKSVYTTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-19-8-6-11-23(20(19)2)27-16-14-26(15-17-27)13-5-4-12-25-24(28)21-9-7-10-22(18-21)29-3/h6-11,18H,4-5,12-17H2,1-3H3,(H,25,28).
What are the key properties of N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-3-methoxybenzamide?
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-3-methoxybenzamide has a molecular weight of 395.55 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-3-methoxybenzamide is sourced from PubChem (CID 10430816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).