2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide

C34H43N5O3 — CID 1064270

IUPAC2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cccc(C)c1NC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C34H43N5O3/c1-25-7-6-8-26(2)32(25)37-34(41)36-29-11-12-31(30(24-29)33(40)35-15-18-38-19-21-42-22-20-38)39-16-13-28(14-17-39)23-27-9-4-3-5-10-27/h3-12,24,28H,13-23H2,1-2H3,(H,35,40)(H2,36,37,41)
InChIKeyHZOBCUHLPAOVKH-UHFFFAOYSA-N
MW569.75 g/mol
LogP5.47
Rot. Bonds9

About 2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide

2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 1064270) has the molecular formula C34H43N5O3 and a molecular weight of 569.75 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID1064270
Molecular FormulaC34H43N5O3
Molecular Weight569.75 g/mol
Exact Mass569.34
IUPAC Name2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1cccc(C)c1NC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C34H43N5O3/c1-25-7-6-8-26(2)32(25)37-34(41)36-29-11-12-31(30(24-29)33(40)35-15-18-38-19-21-42-22-20-38)39-16-13-28(14-17-39)23-27-9-4-3-5-10-27/h3-12,24,28H,13-23H2,1-2H3,(H,35,40)(H2,36,37,41)
InChIKeyHZOBCUHLPAOVKH-UHFFFAOYSA-N
XLogP5.47
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.75
LogP ≤ 55.47
H-Bond Donors ≤ 53
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-[(3-ethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 1064282
2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-methoxyethyl)benzamide
CID 4691013
2-(4-benzylpiperidin-1-yl)-5-(butanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 42751292
2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 1063922
2-(4-benzylpiperidin-1-yl)-5-[(2,3-dimethylphenyl)carbamoylamino]-N-(2-phenylethyl)benzamide
CID 42659015
2-(4-benzylpiperidin-1-yl)-5-[(2-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 5219081
2-(4-benzylpiperidin-1-yl)-5-(decanoylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 42659443
2-(4-benzylpiperidin-1-yl)-5-[(4-fluorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3890026
2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(2,3-dimethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 1064339
2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3,4-dimethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide
CID 1064338
5-[(3-chloro-4-methylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42660039
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-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide (CID 1064270) is 2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide is Cc1cccc(C)c1NC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCN2CCOCC2)c1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is HZOBCUHLPAOVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O3/c1-25-7-6-8-26(2)32(25)37-34(41)36-29-11-12-31(30(24-29)33(40)35-15-18-38-19-21-42-22-20-38)39-16-13-28(14-17-39)23-27-9-4-3-5-10-27/h3-12,24,28H,13-23H2,1-2H3,(H,35,40)(H2,36,37,41).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide?
2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 569.75 g/mol, XLogP of 5.47, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-5-[(2,6-dimethylphenyl)carbamoylamino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 1064270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).