N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

C29H39N3O4 — CID 55965005

IUPACN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCC1CN(Cc2ccccc2CNC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)CC(C)O1
InChIInChI=1S/C29H39N3O4/c1-22-18-31(19-23(2)36-22)20-25-10-7-6-9-24(25)17-30-29(34)26-11-8-15-32(21-26)28(33)14-16-35-27-12-4-3-5-13-27/h3-7,9-10,12-13,22-23,26H,8,11,14-21H2,1-2H3,(H,30,34)
InChIKeyPOSVQBGVIZJLFL-UHFFFAOYSA-N
MW493.65 g/mol
LogP3.62
Rot. Bonds9

About N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (PubChem CID 55965005) has the molecular formula C29H39N3O4 and a molecular weight of 493.65 g/mol. Its IUPAC name is N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
PubChem CID55965005
Molecular FormulaC29H39N3O4
Molecular Weight493.65 g/mol
Exact Mass493.29
IUPAC NameN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCC1CN(Cc2ccccc2CNC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)CC(C)O1
InChIInChI=1S/C29H39N3O4/c1-22-18-31(19-23(2)36-22)20-25-10-7-6-9-24(25)17-30-29(34)26-11-8-15-32(21-26)28(33)14-16-35-27-12-4-3-5-13-27/h3-7,9-10,12-13,22-23,26H,8,11,14-21H2,1-2H3,(H,30,34)
InChIKeyPOSVQBGVIZJLFL-UHFFFAOYSA-N
XLogP3.62
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55967139
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55993927
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55962463
N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60554234
(3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 52504687
N-[(2R)-2-(ethylamino)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 120651023
(3R)-1-acetyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 94434549
(3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124726117
2-[2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119242294
N-[(4-benzylmorpholin-2-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55965874

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (CID 55965005) is N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is CC1CN(Cc2ccccc2CNC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)CC(C)O1.
What is the InChIKey of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The InChIKey is POSVQBGVIZJLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O4/c1-22-18-31(19-23(2)36-22)20-25-10-7-6-9-24(25)17-30-29(34)26-11-8-15-32(21-26)28(33)14-16-35-27-12-4-3-5-13-27/h3-7,9-10,12-13,22-23,26H,8,11,14-21H2,1-2H3,(H,30,34).
What are the key properties of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide has a molecular weight of 493.65 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55965005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).