N-butyl-3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxybenzamide

C23H35ClN2O2 — CID 45489077

IUPACN-butyl-3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxybenzamide
SMILESCCCCNC(=O)c1ccc(OC2CCN(CC3CCCCC3)CC2)c(Cl)c1
InChIInChI=1S/C23H35ClN2O2/c1-2-3-13-25-23(27)19-9-10-22(21(24)16-19)28-20-11-14-26(15-12-20)17-18-7-5-4-6-8-18/h9-10,16,18,20H,2-8,11-15,17H2,1H3,(H,25,27)
InChIKeyQMUZZFAEQFEEQC-UHFFFAOYSA-N
MW407.00 g/mol
LogP5.29
Rot. Bonds8

About N-butyl-3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxybenzamide

N-butyl-3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 45489077) has the molecular formula C23H35ClN2O2 and a molecular weight of 407.00 g/mol. Its IUPAC name is N-butyl-3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-butyl-3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID45489077
Molecular FormulaC23H35ClN2O2
Molecular Weight407.00 g/mol
Exact Mass406.24
IUPAC NameN-butyl-3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxybenzamide
SMILESCCCCNC(=O)c1ccc(OC2CCN(CC3CCCCC3)CC2)c(Cl)c1
InChIInChI=1S/C23H35ClN2O2/c1-2-3-13-25-23(27)19-9-10-22(21(24)16-19)28-20-11-14-26(15-12-20)17-18-7-5-4-6-8-18/h9-10,16,18,20H,2-8,11-15,17H2,1H3,(H,25,27)
InChIKeyQMUZZFAEQFEEQC-UHFFFAOYSA-N
XLogP5.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.00
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxybenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-butyl-3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxybenzamide (CID 45489077) is N-butyl-3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-butyl-3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-butyl-3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxybenzamide is CCCCNC(=O)c1ccc(OC2CCN(CC3CCCCC3)CC2)c(Cl)c1.
What is the InChIKey of N-butyl-3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is QMUZZFAEQFEEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35ClN2O2/c1-2-3-13-25-23(27)19-9-10-22(21(24)16-19)28-20-11-14-26(15-12-20)17-18-7-5-4-6-8-18/h9-10,16,18,20H,2-8,11-15,17H2,1H3,(H,25,27).
What are the key properties of N-butyl-3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxybenzamide?
N-butyl-3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 407.00 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-chloro-4-[1-(cyclohexylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 45489077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).