N-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide

C22H33N3O3 — CID 51948201

IUPACN-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESC[C@@H]1CCCCN1Cc1ccc(CNC(=O)CCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H33N3O3/c1-18-4-2-3-11-25(18)17-20-7-5-19(6-8-20)16-23-21(26)9-10-22(27)24-12-14-28-15-13-24/h5-8,18H,2-4,9-17H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyPREALLYQDMXGPR-GOSISDBHSA-N
MW387.52 g/mol
LogP2.32
Rot. Bonds7

About N-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide

N-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 51948201) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide
PubChem CID51948201
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESC[C@@H]1CCCCN1Cc1ccc(CNC(=O)CCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H33N3O3/c1-18-4-2-3-11-25(18)17-20-7-5-19(6-8-20)16-23-21(26)9-10-22(27)24-12-14-28-15-13-24/h5-8,18H,2-4,9-17H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyPREALLYQDMXGPR-GOSISDBHSA-N
XLogP2.32
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide with MolForge

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Related Compounds

N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 9473849
7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
CID 119845230
6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide
CID 47036113
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide
CID 55708491
3-(4-methoxyphenoxy)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 47035396
2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86990672
N-[(4-chlorophenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2421761
N'-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111300639
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111313553
3-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119953020
2-(3-methoxyphenyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961567
2-methyl-N-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]benzamide
CID 46476029

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide (CID 51948201) is N-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide is C[C@@H]1CCCCN1Cc1ccc(CNC(=O)CCC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is PREALLYQDMXGPR-GOSISDBHSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-18-4-2-3-11-25(18)17-20-7-5-19(6-8-20)16-23-21(26)9-10-22(27)24-12-14-28-15-13-24/h5-8,18H,2-4,9-17H2,1H3,(H,23,26)/t18-/m1/s1.
What are the key properties of N-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide?
N-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 387.52 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 51948201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).