N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperidine-3-carboxamide

C20H29N3O3 — CID 119305558

IUPACN-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCC1CN(C(=O)c2ccc(CNC(=O)C3CCCNC3)cc2)CC(C)O1
InChIInChI=1S/C20H29N3O3/c1-14-12-23(13-15(2)26-14)20(25)17-7-5-16(6-8-17)10-22-19(24)18-4-3-9-21-11-18/h5-8,14-15,18,21H,3-4,9-13H2,1-2H3,(H,22,24)
InChIKeyGCJRDIRYDZLLKP-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.55
Rot. Bonds4

About N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperidine-3-carboxamide

N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 119305558) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID119305558
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCC1CN(C(=O)c2ccc(CNC(=O)C3CCCNC3)cc2)CC(C)O1
InChIInChI=1S/C20H29N3O3/c1-14-12-23(13-15(2)26-14)20(25)17-7-5-16(6-8-17)10-22-19(24)18-4-3-9-21-11-18/h5-8,14-15,18,21H,3-4,9-13H2,1-2H3,(H,22,24)
InChIKeyGCJRDIRYDZLLKP-UHFFFAOYSA-N
XLogP1.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119744250
(3S,4S)-1-[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952414
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea
CID 95225967
N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide
CID 39162933
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]piperidine-3-carboxamide;dihydrochloride
CID 119839517
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
1-[[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]-3-(2-piperidin-1-ylethyl)urea
CID 95678855

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperidine-3-carboxamide (CID 119305558) is N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperidine-3-carboxamide is CC1CN(C(=O)c2ccc(CNC(=O)C3CCCNC3)cc2)CC(C)O1.
What is the InChIKey of N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is GCJRDIRYDZLLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-12-23(13-15(2)26-14)20(25)17-7-5-16(6-8-17)10-22-19(24)18-4-3-9-21-11-18/h5-8,14-15,18,21H,3-4,9-13H2,1-2H3,(H,22,24).
What are the key properties of N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperidine-3-carboxamide?
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119305558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).