N-(1-benzylpiperidin-4-yl)-3-[(3-methylphenyl)carbamoyl-propylamino]propanamide

C26H36N4O2 — CID 42700182

IUPACN-(1-benzylpiperidin-4-yl)-3-[(3-methylphenyl)carbamoyl-propylamino]propanamide
SMILESCCCN(CCC(=O)NC1CCN(Cc2ccccc2)CC1)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C26H36N4O2/c1-3-15-30(26(32)28-24-11-7-8-21(2)19-24)18-14-25(31)27-23-12-16-29(17-13-23)20-22-9-5-4-6-10-22/h4-11,19,23H,3,12-18,20H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyZRPWQADLAHIRQF-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.41
Rot. Bonds9

About N-(1-benzylpiperidin-4-yl)-3-[(3-methylphenyl)carbamoyl-propylamino]propanamide

N-(1-benzylpiperidin-4-yl)-3-[(3-methylphenyl)carbamoyl-propylamino]propanamide (PubChem CID 42700182) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[(3-methylphenyl)carbamoyl-propylamino]propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[(3-methylphenyl)carbamoyl-propylamino]propanamide
PubChem CID42700182
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[(3-methylphenyl)carbamoyl-propylamino]propanamide
SMILESCCCN(CCC(=O)NC1CCN(Cc2ccccc2)CC1)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C26H36N4O2/c1-3-15-30(26(32)28-24-11-7-8-21(2)19-24)18-14-25(31)27-23-12-16-29(17-13-23)20-22-9-5-4-6-10-22/h4-11,19,23H,3,12-18,20H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyZRPWQADLAHIRQF-UHFFFAOYSA-N
XLogP4.41
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]propanamide
CID 4271273
N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-2-methyl-N-propylpropanamide
CID 42700171
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
3-(3-methylphenyl)-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1-(2-phenylethyl)urea
CID 42699913
N-(1-benzylpiperidin-4-yl)-3-[(4-bromophenyl)carbamoyl-cyclohexylamino]propanamide
CID 42700266
N-(1-benzylpiperidin-4-yl)-3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]propanamide
CID 84567171
N-(1-benzylpiperidin-4-yl)-2-[(4-methylphenyl)sulfonyl-propylamino]acetamide
CID 42878689
3-[(3-methylphenyl)carbamoyl-propylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 42736629
1-(2-hydroxyethyl)-3-(3-methylphenyl)-1-propylurea
CID 60736581
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide
CID 127122392
2-[(3-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61008181
N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9165150

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[(3-methylphenyl)carbamoyl-propylamino]propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[(3-methylphenyl)carbamoyl-propylamino]propanamide (CID 42700182) is N-(1-benzylpiperidin-4-yl)-3-[(3-methylphenyl)carbamoyl-propylamino]propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[(3-methylphenyl)carbamoyl-propylamino]propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[(3-methylphenyl)carbamoyl-propylamino]propanamide is CCCN(CCC(=O)NC1CCN(Cc2ccccc2)CC1)C(=O)Nc1cccc(C)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[(3-methylphenyl)carbamoyl-propylamino]propanamide?
The InChIKey is ZRPWQADLAHIRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-3-15-30(26(32)28-24-11-7-8-21(2)19-24)18-14-25(31)27-23-12-16-29(17-13-23)20-22-9-5-4-6-10-22/h4-11,19,23H,3,12-18,20H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[(3-methylphenyl)carbamoyl-propylamino]propanamide?
N-(1-benzylpiperidin-4-yl)-3-[(3-methylphenyl)carbamoyl-propylamino]propanamide has a molecular weight of 436.60 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-[(3-methylphenyl)carbamoyl-propylamino]propanamide is sourced from PubChem (CID 42700182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).