2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide

C29H40N4O3 — CID 42751292

IUPAC2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCCC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C29H40N4O3/c1-2-6-28(34)31-25-9-10-27(26(22-25)29(35)30-13-16-32-17-19-36-20-18-32)33-14-11-24(12-15-33)21-23-7-4-3-5-8-23/h3-5,7-10,22,24H,2,6,11-21H2,1H3,(H,30,35)(H,31,34)
InChIKeyMOCAPLNPDAEPGL-UHFFFAOYSA-N
MW492.66 g/mol
LogP3.95
Rot. Bonds10

About 2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide

2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 42751292) has the molecular formula C29H40N4O3 and a molecular weight of 492.66 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID42751292
Molecular FormulaC29H40N4O3
Molecular Weight492.66 g/mol
Exact Mass492.31
IUPAC Name2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
SMILESCCCC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C29H40N4O3/c1-2-6-28(34)31-25-9-10-27(26(22-25)29(35)30-13-16-32-17-19-36-20-18-32)33-14-11-24(12-15-33)21-23-7-4-3-5-8-23/h3-5,7-10,22,24H,2,6,11-21H2,1H3,(H,30,35)(H,31,34)
InChIKeyMOCAPLNPDAEPGL-UHFFFAOYSA-N
XLogP3.95
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.66
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzylpiperidin-1-yl)-5-(decanoylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 42659443
2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-phenylethyl)benzamide
CID 3879106
2-(4-benzylpiperidin-1-yl)-5-[(3-ethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 1064282
2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 1063922
2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 1064270
2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 5219081
2-(4-benzylpiperidin-1-yl)-5-[(4-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3890026
2-(4-benzylpiperidin-1-yl)-N-cyclopropyl-5-(decanoylamino)benzamide
CID 4012959
5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 5141483
2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-5-(pentanoylamino)benzoic acid
CID 50807118
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-[(2-phenylacetyl)amino]benzamide
CID 4261431
5-acetamido-2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)benzamide
CID 3987638

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide (CID 42751292) is 2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide is CCCC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCN2CCOCC2)c1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is MOCAPLNPDAEPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O3/c1-2-6-28(34)31-25-9-10-27(26(22-25)29(35)30-13-16-32-17-19-36-20-18-32)33-14-11-24(12-15-33)21-23-7-4-3-5-8-23/h3-5,7-10,22,24H,2,6,11-21H2,1H3,(H,30,35)(H,31,34).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide?
2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 492.66 g/mol, XLogP of 3.95, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 42751292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).