1-[[3-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide

C25H35N3O2 — CID 171912345

IUPAC1-[[3-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2cccc(OCc3ncc(C)cc3C)c2)C1
InChIInChI=1S/C25H35N3O2/c1-5-28(6-2)25(29)22-10-8-12-27(17-22)16-21-9-7-11-23(14-21)30-18-24-20(4)13-19(3)15-26-24/h7,9,11,13-15,22H,5-6,8,10,12,16-18H2,1-4H3
InChIKeyAVHUJYRZJGFMMP-UHFFFAOYSA-N
MW409.57 g/mol
LogP4.36
Rot. Bonds8

About 1-[[3-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide

1-[[3-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 171912345) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 1-[[3-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID171912345
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name1-[[3-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2cccc(OCc3ncc(C)cc3C)c2)C1
InChIInChI=1S/C25H35N3O2/c1-5-28(6-2)25(29)22-10-8-12-27(17-22)16-21-9-7-11-23(14-21)30-18-24-20(4)13-19(3)15-26-24/h7,9,11,13-15,22H,5-6,8,10,12,16-18H2,1-4H3
InChIKeyAVHUJYRZJGFMMP-UHFFFAOYSA-N
XLogP4.36
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide with MolForge

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Related Compounds

N,N-diethyl-1-[[3-[(4-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]piperidine-3-carboxamide
CID 171915975
N,N-diethyl-1-[[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methyl]piperidine-3-carboxamide
CID 171911041
(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1377142
(3R)-N,N-diethyl-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 764273
1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 43918618
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 765858
(3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2057088
1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2838224
(3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 40501214
N-benzyl-1-[[4-[[3-[benzyl(ethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-ethylpiperidine-3-carboxamide;hydrobromide
CID 67856003

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[[3-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide (CID 171912345) is 1-[[3-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[[3-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(Cc2cccc(OCc3ncc(C)cc3C)c2)C1.
What is the InChIKey of 1-[[3-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is AVHUJYRZJGFMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-5-28(6-2)25(29)22-10-8-12-27(17-22)16-21-9-7-11-23(14-21)30-18-24-20(4)13-19(3)15-26-24/h7,9,11,13-15,22H,5-6,8,10,12,16-18H2,1-4H3.
What are the key properties of 1-[[3-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide?
1-[[3-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 409.57 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(3,5-dimethyl-2-pyridinyl)methoxy]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 171912345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).