5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide

C27H35N3O3 — CID 4313980

IUPAC5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C27H35N3O3/c1-3-4-17-33-23-10-5-20(6-11-23)26(31)29-22-9-12-25(30-15-13-19(2)14-16-30)24(18-22)27(32)28-21-7-8-21/h5-6,9-12,18-19,21H,3-4,7-8,13-17H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyLHZWZMRUKRLPQW-UHFFFAOYSA-N
MW449.60 g/mol
LogP5.25
Rot. Bonds9

About 5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide

5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 4313980) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is 5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID4313980
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC Name5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C27H35N3O3/c1-3-4-17-33-23-10-5-20(6-11-23)26(31)29-22-9-12-25(30-15-13-19(2)14-16-30)24(18-22)27(32)28-21-7-8-21/h5-6,9-12,18-19,21H,3-4,7-8,13-17H2,1-2H3,(H,28,32)(H,29,31)
InChIKeyLHZWZMRUKRLPQW-UHFFFAOYSA-N
XLogP5.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-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

5-[(4-butoxybenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide
CID 3526852
N-cyclopropyl-2-(4-methylpiperidin-1-yl)-5-[(4-phenylbenzoyl)amino]benzamide
CID 4645895
5-acetamido-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
CID 42757156
5-[[2-(4-chlorophenoxy)acetyl]amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide
CID 1066572
N-(3-ethoxypropyl)-5-[(4-methoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3439444
2-(4-benzylpiperidin-1-yl)-5-[(4-butoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4545096
5-[(4-fluorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 4587444
2-(4-benzylpiperidin-1-yl)-5-[(4-butoxybenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 3371890
5-[(4-butoxybenzoyl)amino]-N-[3-(dimethylamino)propyl]-2-piperidin-1-ylbenzamide
CID 3612260
N-cyclohexyl-5-[(2,4-dimethoxybenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3643543
5-[(4-butylbenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-(2-methylpropyl)benzamide
CID 4207320
5-[(4-butoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 4039742

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of 5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide (CID 4313980) is 5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for 5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for 5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide is CCCCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(C(=O)NC3CC3)c2)cc1.
What is the InChIKey of 5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is LHZWZMRUKRLPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-3-4-17-33-23-10-5-20(6-11-23)26(31)29-22-9-12-25(30-15-13-19(2)14-16-30)24(18-22)27(32)28-21-7-8-21/h5-6,9-12,18-19,21H,3-4,7-8,13-17H2,1-2H3,(H,28,32)(H,29,31).
What are the key properties of 5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide?
5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 449.60 g/mol, XLogP of 5.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-butoxybenzoyl)amino]-N-cyclopropyl-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 4313980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).