2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]butanamide

C20H39N3O2 — CID 60613958

IUPAC2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]butanamide
SMILESCC1CN(C(C(=O)NCC2CCCN(C(C)C)C2)C(C)C)CC(C)O1
InChIInChI=1S/C20H39N3O2/c1-14(2)19(23-11-16(5)25-17(6)12-23)20(24)21-10-18-8-7-9-22(13-18)15(3)4/h14-19H,7-13H2,1-6H3,(H,21,24)
InChIKeyZFGOGQVLLWPYAM-UHFFFAOYSA-N
MW353.55 g/mol
LogP2.36
Rot. Bonds6

About 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]butanamide

2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]butanamide (PubChem CID 60613958) has the molecular formula C20H39N3O2 and a molecular weight of 353.55 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]butanamide
PubChem CID60613958
Molecular FormulaC20H39N3O2
Molecular Weight353.55 g/mol
Exact Mass353.30
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]butanamide
SMILESCC1CN(C(C(=O)NCC2CCCN(C(C)C)C2)C(C)C)CC(C)O1
InChIInChI=1S/C20H39N3O2/c1-14(2)19(23-11-16(5)25-17(6)12-23)20(24)21-10-18-8-7-9-22(13-18)15(3)4/h14-19H,7-13H2,1-6H3,(H,21,24)
InChIKeyZFGOGQVLLWPYAM-UHFFFAOYSA-N
XLogP2.36
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.55
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]butanamide with MolForge

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Related Compounds

(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(2R)-2-pyrrolidin-1-ylbutyl]butanamide
CID 98728472
3-[[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methylbutanoyl]amino]propanoic acid
CID 125151081
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide
CID 119866720
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866719
1-hydroxy-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 110912958
2-amino-2-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]acetamide
CID 119866660
3-amino-N-[(1-propan-2-ylpiperidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 119866673
(3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide
CID 99970481
2-methyl-1-[(1-propan-2-ylpiperidin-3-yl)methyl]guanidine
CID 75418999
2-amino-3-phenyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]propanamide;dihydrochloride
CID 119866668
4-(aminomethyl)-N-[(1-propan-2-ylpiperidin-3-yl)methyl]oxane-4-carboxamide
CID 120940265
(2S,4S)-2-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120634721

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]butanamide?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]butanamide (CID 60613958) is 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]butanamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]butanamide?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]butanamide is CC1CN(C(C(=O)NCC2CCCN(C(C)C)C2)C(C)C)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]butanamide?
The InChIKey is ZFGOGQVLLWPYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O2/c1-14(2)19(23-11-16(5)25-17(6)12-23)20(24)21-10-18-8-7-9-22(13-18)15(3)4/h14-19H,7-13H2,1-6H3,(H,21,24).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]butanamide?
2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]butanamide has a molecular weight of 353.55 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-3-methyl-N-[(1-propan-2-ylpiperidin-3-yl)methyl]butanamide is sourced from PubChem (CID 60613958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).