N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide

C24H32N2O4 — CID 45211158

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
SMILESCOc1ccc(CNC(=O)CCC2CCCN(Cc3ccccc3O)C2)c(OC)c1
InChIInChI=1S/C24H32N2O4/c1-29-21-11-10-19(23(14-21)30-2)15-25-24(28)12-9-18-6-5-13-26(16-18)17-20-7-3-4-8-22(20)27/h3-4,7-8,10-11,14,18,27H,5-6,9,12-13,15-17H2,1-2H3,(H,25,28)
InChIKeyVRBITGXGVUXOAO-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.72
Rot. Bonds9

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

N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide (PubChem CID 45211158) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
PubChem CID45211158
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
SMILESCOc1ccc(CNC(=O)CCC2CCCN(Cc3ccccc3O)C2)c(OC)c1
InChIInChI=1S/C24H32N2O4/c1-29-21-11-10-19(23(14-21)30-2)15-25-24(28)12-9-18-6-5-13-26(16-18)17-20-7-3-4-8-22(20)27/h3-4,7-8,10-11,14,18,27H,5-6,9,12-13,15-17H2,1-2H3,(H,25,28)
InChIKeyVRBITGXGVUXOAO-UHFFFAOYSA-N
XLogP3.72
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 26326111
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 45235401
3-[(3R)-1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 25299037
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 42343520
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(1H-indol-3-ylmethyl)piperidin-3-yl]propanamide
CID 45218347
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 25302311
3-[(3S)-1-[(2,5-difluorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 25280715
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(quinolin-8-ylmethyl)piperidin-3-yl]propanamide
CID 45214011
3-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 45211190
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]propanamide
CID 42214664
3-[(3R)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 26403271
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 26336124

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide (CID 45211158) is N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide is COc1ccc(CNC(=O)CCC2CCCN(Cc3ccccc3O)C2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide?
The InChIKey is VRBITGXGVUXOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-29-21-11-10-19(23(14-21)30-2)15-25-24(28)12-9-18-6-5-13-26(16-18)17-20-7-3-4-8-22(20)27/h3-4,7-8,10-11,14,18,27H,5-6,9,12-13,15-17H2,1-2H3,(H,25,28).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide?
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide has a molecular weight of 412.53 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-[1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45211158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).