4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide

C18H27ClN2O3 — CID 120577293

IUPAC4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)NC2CCCNC2C)cc1OC
InChIInChI=1S/C18H27ClN2O3/c1-4-5-9-24-17-14(19)10-13(11-16(17)23-3)18(22)21-15-7-6-8-20-12(15)2/h10-12,15,20H,4-9H2,1-3H3,(H,21,22)
InChIKeyREAKGMYSKMWORP-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.40
Rot. Bonds7

About 4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide

4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide (PubChem CID 120577293) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide
PubChem CID120577293
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide
SMILESCCCCOc1c(Cl)cc(C(=O)NC2CCCNC2C)cc1OC
InChIInChI=1S/C18H27ClN2O3/c1-4-5-9-24-17-14(19)10-13(11-16(17)23-3)18(22)21-15-7-6-8-20-12(15)2/h10-12,15,20H,4-9H2,1-3H3,(H,21,22)
InChIKeyREAKGMYSKMWORP-UHFFFAOYSA-N
XLogP3.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride
CID 120575515
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513747
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513746
4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573672
3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
CID 119428031
(4-butoxy-3-chloro-5-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572680
(4-butoxy-3-chloro-5-methoxyphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120572679
3-chloro-4,5-dimethoxy-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9403796
4-(3-methoxypropoxy)-N-(2-methylpiperidin-3-yl)benzamide
CID 120575755
3-chloro-4-ethoxy-5-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120558006
3-chloro-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-4,5-dimethoxybenzamide
CID 7887810
3-chloro-4-ethoxy-5-methoxy-N-[(3S)-2-oxopiperidin-3-yl]benzamide
CID 94799711

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide?
The IUPAC name of 4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide (CID 120577293) is 4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide is CCCCOc1c(Cl)cc(C(=O)NC2CCCNC2C)cc1OC.
What is the InChIKey of 4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide?
The InChIKey is REAKGMYSKMWORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3/c1-4-5-9-24-17-14(19)10-13(11-16(17)23-3)18(22)21-15-7-6-8-20-12(15)2/h10-12,15,20H,4-9H2,1-3H3,(H,21,22).
What are the key properties of 4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide?
4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide has a molecular weight of 354.88 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-chloro-5-methoxy-N-(2-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 120577293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).