N-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide

C37H50N2O3 — CID 4235665

IUPACN-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide
SMILESCCCCCCCCCC(=O)N(Cc1ccc(OC)c(OCc2ccccc2)c1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C37H50N2O3/c1-3-4-5-6-7-8-15-20-37(40)39(34-23-25-38(26-24-34)28-31-16-11-9-12-17-31)29-33-21-22-35(41-2)36(27-33)42-30-32-18-13-10-14-19-32/h9-14,16-19,21-22,27,34H,3-8,15,20,23-26,28-30H2,1-2H3
InChIKeyKLTYWZOEROLMJT-UHFFFAOYSA-N
MW570.82 g/mol
LogP8.41
Rot. Bonds17

About N-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide

N-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide (PubChem CID 4235665) has the molecular formula C37H50N2O3 and a molecular weight of 570.82 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide
PubChem CID4235665
Molecular FormulaC37H50N2O3
Molecular Weight570.82 g/mol
Exact Mass570.38
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide
SMILESCCCCCCCCCC(=O)N(Cc1ccc(OC)c(OCc2ccccc2)c1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C37H50N2O3/c1-3-4-5-6-7-8-15-20-37(40)39(34-23-25-38(26-24-34)28-31-16-11-9-12-17-31)29-33-21-22-35(41-2)36(27-33)42-30-32-18-13-10-14-19-32/h9-14,16-19,21-22,27,34H,3-8,15,20,23-26,28-30H2,1-2H3
InChIKeyKLTYWZOEROLMJT-UHFFFAOYSA-N
XLogP8.41
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.82
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpiperidin-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]decanamide
CID 142128614
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide
CID 42701804
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide
CID 42701783
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexylhexanamide
CID 19630167
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 42701779
1-[(3,4-dimethoxyphenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 2900377
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 23724334
4-benzyl-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine
CID 1376263
1-[(4-fluorophenyl)methyl]-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine;oxalic acid
CID 90483788
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-methylpiperazine
CID 782865
1-[(4-heptoxy-3-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 54848223
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine;oxalic acid
CID 2902948

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide (CID 4235665) is N-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide is CCCCCCCCCC(=O)N(Cc1ccc(OC)c(OCc2ccccc2)c1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide?
The InChIKey is KLTYWZOEROLMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H50N2O3/c1-3-4-5-6-7-8-15-20-37(40)39(34-23-25-38(26-24-34)28-31-16-11-9-12-17-31)29-33-21-22-35(41-2)36(27-33)42-30-32-18-13-10-14-19-32/h9-14,16-19,21-22,27,34H,3-8,15,20,23-26,28-30H2,1-2H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide?
N-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide has a molecular weight of 570.82 g/mol, XLogP of 8.41, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]decanamide is sourced from PubChem (CID 4235665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).