N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-4-phenylbutan-2-yl]piperidin-4-yl]propanamide

C26H36N2O3 — CID 26320938

IUPACN-(2,4-dimethoxyphenyl)-3-[1-[(2R)-4-phenylbutan-2-yl]piperidin-4-yl]propanamide
SMILESCOc1ccc(NC(=O)CCC2CCN([C@H](C)CCc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C26H36N2O3/c1-20(9-10-21-7-5-4-6-8-21)28-17-15-22(16-18-28)11-14-26(29)27-24-13-12-23(30-2)19-25(24)31-3/h4-8,12-13,19-20,22H,9-11,14-18H2,1-3H3,(H,27,29)/t20-/m1/s1
InChIKeyZPLZLAUJRVMPQC-HXUWFJFHSA-N
MW424.59 g/mol
LogP5.16
Rot. Bonds10

About N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-4-phenylbutan-2-yl]piperidin-4-yl]propanamide

N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-4-phenylbutan-2-yl]piperidin-4-yl]propanamide (PubChem CID 26320938) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-4-phenylbutan-2-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[1-[(2R)-4-phenylbutan-2-yl]piperidin-4-yl]propanamide
PubChem CID26320938
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[1-[(2R)-4-phenylbutan-2-yl]piperidin-4-yl]propanamide
SMILESCOc1ccc(NC(=O)CCC2CCN([C@H](C)CCc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C26H36N2O3/c1-20(9-10-21-7-5-4-6-8-21)28-17-15-22(16-18-28)11-14-26(29)27-24-13-12-23(30-2)19-25(24)31-3/h4-8,12-13,19-20,22H,9-11,14-18H2,1-3H3,(H,27,29)/t20-/m1/s1
InChIKeyZPLZLAUJRVMPQC-HXUWFJFHSA-N
XLogP5.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-3-[1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]propanamide
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N-(2-methoxyethyl)-3-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]propanamide
CID 23723475
2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2573036
N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide
CID 26395249
N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide
CID 109030966
N-(2,4-dimethoxyphenyl)-3-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]propanamide
CID 25367693
N-(2,4-dimethoxyphenyl)-3-[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-4-yl]propanamide
CID 42526997
N-(2,4-dimethoxyphenyl)-3-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]propanamide
CID 72897212
3-[4-(benzylsulfamoyl)phenyl]-N-(2,4-dimethoxyphenyl)propanamide
CID 126237309
N-(2,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969570
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892
N-(2,4-dimethoxyphenyl)-3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-4-phenylbutan-2-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-4-phenylbutan-2-yl]piperidin-4-yl]propanamide (CID 26320938) is N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-4-phenylbutan-2-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-4-phenylbutan-2-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-4-phenylbutan-2-yl]piperidin-4-yl]propanamide is COc1ccc(NC(=O)CCC2CCN([C@H](C)CCc3ccccc3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-4-phenylbutan-2-yl]piperidin-4-yl]propanamide?
The InChIKey is ZPLZLAUJRVMPQC-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-20(9-10-21-7-5-4-6-8-21)28-17-15-22(16-18-28)11-14-26(29)27-24-13-12-23(30-2)19-25(24)31-3/h4-8,12-13,19-20,22H,9-11,14-18H2,1-3H3,(H,27,29)/t20-/m1/s1.
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-4-phenylbutan-2-yl]piperidin-4-yl]propanamide?
N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-4-phenylbutan-2-yl]piperidin-4-yl]propanamide has a molecular weight of 424.59 g/mol, XLogP of 5.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-4-phenylbutan-2-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 26320938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).