N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide

C31H40N4O2 — CID 42789728

IUPACN-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide
SMILESCc1ccc(Cn2c(C)c(N3CCOCC3)c(C)c2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C31H40N4O2/c1-23-9-11-27(12-10-23)22-35-25(3)29(34-17-19-37-20-18-34)24(2)30(35)31(36)32-28-13-15-33(16-14-28)21-26-7-5-4-6-8-26/h4-12,28H,13-22H2,1-3H3,(H,32,36)
InChIKeyUZWXGELYLJULPQ-UHFFFAOYSA-N
MW500.69 g/mol
LogP4.69
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide

N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide (PubChem CID 42789728) has the molecular formula C31H40N4O2 and a molecular weight of 500.69 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide
PubChem CID42789728
Molecular FormulaC31H40N4O2
Molecular Weight500.69 g/mol
Exact Mass500.32
IUPAC NameN-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide
SMILESCc1ccc(Cn2c(C)c(N3CCOCC3)c(C)c2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C31H40N4O2/c1-23-9-11-27(12-10-23)22-35-25(3)29(34-17-19-37-20-18-34)24(2)30(35)31(36)32-28-13-15-33(16-14-28)21-26-7-5-4-6-8-26/h4-12,28H,13-22H2,1-3H3,(H,32,36)
InChIKeyUZWXGELYLJULPQ-UHFFFAOYSA-N
XLogP4.69
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.69
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide with MolForge

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Related Compounds

1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 4660277
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
ethyl 4-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carbonyl]piperazine-1-carboxylate
CID 42789733
N-(1-benzylpiperidin-4-yl)-1-[(3,4-difluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydroindole-2-carboxamide
CID 42792430
N-(1-benzylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 117088638
N-(1-benzylpiperidin-4-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 24981031
3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 46134442
1-[(3-fluorophenyl)methyl]-3,5-dimethyl-N-(3-methylphenyl)-4-morpholin-4-ylpyrrole-2-carboxamide
CID 42810346
N-(1-benzylpiperidin-4-yl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 39895915
N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27673424
N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
CID 39895770
[3,5-dimethyl-1-[(3-methylphenyl)methyl]-4-morpholin-4-ylpyrrol-2-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7206005

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide (CID 42789728) is N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide is Cc1ccc(Cn2c(C)c(N3CCOCC3)c(C)c2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide?
The InChIKey is UZWXGELYLJULPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N4O2/c1-23-9-11-27(12-10-23)22-35-25(3)29(34-17-19-37-20-18-34)24(2)30(35)31(36)32-28-13-15-33(16-14-28)21-26-7-5-4-6-8-26/h4-12,28H,13-22H2,1-3H3,(H,32,36).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide has a molecular weight of 500.69 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-morpholin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 42789728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).