1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide

C17H25N3O3 — CID 56796668

IUPAC1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCOCc1cccc(CNC(=O)CN2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C17H25N3O3/c1-23-12-14-4-2-3-13(9-14)10-19-16(21)11-20-7-5-15(6-8-20)17(18)22/h2-4,9,15H,5-8,10-12H2,1H3,(H2,18,22)(H,19,21)
InChIKeySMIAPCWVOYBRDY-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.65
Rot. Bonds7

About 1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 56796668) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID56796668
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCOCc1cccc(CNC(=O)CN2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C17H25N3O3/c1-23-12-14-4-2-3-13(9-14)10-19-16(21)11-20-7-5-15(6-8-20)17(18)22/h2-4,9,15H,5-8,10-12H2,1H3,(H2,18,22)(H,19,21)
InChIKeySMIAPCWVOYBRDY-UHFFFAOYSA-N
XLogP0.65
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 87015230
2-[3-(hydroxymethyl)piperidin-1-yl]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 111750191
2-[2-(hydroxymethyl)piperidin-1-yl]-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 110898937
ethyl 4-[[3-(methoxymethyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate
CID 46470868
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530947
2-(4-aminopiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119907160
1-[2-[(2,6-difluorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 16909292
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324
(3S,4S)-1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120954430
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
2-(cyclopropylamino)-N-[[3-(methoxymethyl)phenyl]methyl]acetamide
CID 54896557
2-(4-benzoylpiperidin-1-yl)-N-benzylacetamide
CID 26037570

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide (CID 56796668) is 1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide is COCc1cccc(CNC(=O)CN2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is SMIAPCWVOYBRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-23-12-14-4-2-3-13(9-14)10-19-16(21)11-20-7-5-15(6-8-20)17(18)22/h2-4,9,15H,5-8,10-12H2,1H3,(H2,18,22)(H,19,21).
What are the key properties of 1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 56796668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).