1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide

C28H39N3O2 — CID 43917834

IUPAC1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CN2CCC(C(=O)NCc3ccc(CN4CCC(C)CC4)cc3)CC2)c1
InChIInChI=1S/C28H39N3O2/c1-22-10-14-30(15-11-22)20-24-8-6-23(7-9-24)19-29-28(32)26-12-16-31(17-13-26)21-25-4-3-5-27(18-25)33-2/h3-9,18,22,26H,10-17,19-21H2,1-2H3,(H,29,32)
InChIKeyIFGVSMBOITXZJY-UHFFFAOYSA-N
MW449.64 g/mol
LogP4.46
Rot. Bonds8

About 1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide

1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 43917834) has the molecular formula C28H39N3O2 and a molecular weight of 449.64 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
PubChem CID43917834
Molecular FormulaC28H39N3O2
Molecular Weight449.64 g/mol
Exact Mass449.30
IUPAC Name1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
SMILESCOc1cccc(CN2CCC(C(=O)NCc3ccc(CN4CCC(C)CC4)cc3)CC2)c1
InChIInChI=1S/C28H39N3O2/c1-22-10-14-30(15-11-22)20-24-8-6-23(7-9-24)19-29-28(32)26-12-16-31(17-13-26)21-25-4-3-5-27(18-25)33-2/h3-9,18,22,26H,10-17,19-21H2,1-2H3,(H,29,32)
InChIKeyIFGVSMBOITXZJY-UHFFFAOYSA-N
XLogP4.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.64
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[(3-methoxyphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917843
N-[(3-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284778
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43917846
N-[(4-methoxyphenyl)methyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 4551423
1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917627
1-[(3-chlorophenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917663
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 1343442
1-[(2,4-dichlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 53284653
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 47067999
N-[2-(diethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3152666
1-[(4-methylphenyl)methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 53284738

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide (CID 43917834) is 1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide is COc1cccc(CN2CCC(C(=O)NCc3ccc(CN4CCC(C)CC4)cc3)CC2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is IFGVSMBOITXZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O2/c1-22-10-14-30(15-11-22)20-24-8-6-23(7-9-24)19-29-28(32)26-12-16-31(17-13-26)21-25-4-3-5-27(18-25)33-2/h3-9,18,22,26H,10-17,19-21H2,1-2H3,(H,29,32).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide?
1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 449.64 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 43917834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).