N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide

C18H28N2O2 — CID 47067999

IUPACN-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(CC(C)C)CC2)c1
InChIInChI=1S/C18H28N2O2/c1-14(2)13-20-9-7-16(8-10-20)18(21)19-12-15-5-4-6-17(11-15)22-3/h4-6,11,14,16H,7-10,12-13H2,1-3H3,(H,19,21)
InChIKeyWJWYSSYEBQYZOF-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.68
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide

N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 47067999) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID47067999
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(CC(C)C)CC2)c1
InChIInChI=1S/C18H28N2O2/c1-14(2)13-20-9-7-16(8-10-20)18(21)19-12-15-5-4-6-17(11-15)22-3/h4-6,11,14,16H,7-10,12-13H2,1-3H3,(H,19,21)
InChIKeyWJWYSSYEBQYZOF-UHFFFAOYSA-N
XLogP2.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43917846
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-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 5123401
1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917834
1-[(2,4-dichlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 53284653
1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 18104565
1-[(4-methylphenyl)methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 53284738
1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 51122734
1-[(4-fluorophenyl)methyl]-N-[(3-propan-2-yloxyphenyl)methyl]piperidine-4-carboxamide
CID 45021320
1-(furan-3-carbonyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 35676446

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide (CID 47067999) is N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide is COc1cccc(CNC(=O)C2CCN(CC(C)C)CC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is WJWYSSYEBQYZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(2)13-20-9-7-16(8-10-20)18(21)19-12-15-5-4-6-17(11-15)22-3/h4-6,11,14,16H,7-10,12-13H2,1-3H3,(H,19,21).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 304.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 47067999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).