3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide

C22H35N3O3 — CID 86990783

IUPAC3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide
SMILESCC1CCCN(CCCNC(=O)C(NC(=O)COc2ccccc2)C(C)C)C1
InChIInChI=1S/C22H35N3O3/c1-17(2)21(24-20(26)16-28-19-10-5-4-6-11-19)22(27)23-12-8-14-25-13-7-9-18(3)15-25/h4-6,10-11,17-18,21H,7-9,12-16H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyZLUGXDZOWWQMHA-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.44
Rot. Bonds10

About 3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide

3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide (PubChem CID 86990783) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide
PubChem CID86990783
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide
SMILESCC1CCCN(CCCNC(=O)C(NC(=O)COc2ccccc2)C(C)C)C1
InChIInChI=1S/C22H35N3O3/c1-17(2)21(24-20(26)16-28-19-10-5-4-6-11-19)22(27)23-12-8-14-25-13-7-9-18(3)15-25/h4-6,10-11,17-18,21H,7-9,12-16H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyZLUGXDZOWWQMHA-UHFFFAOYSA-N
XLogP2.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 9142893
2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
CID 94119841
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-[4-(3-methylpiperidin-1-yl)butyl]butanamide
CID 55940674
N-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 133160653
2-(3-fluorophenoxy)-N-[4-(3-methylpiperidin-1-yl)butyl]propanamide
CID 86990889
3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide
CID 86961985
3-(3-bromophenoxy)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 55718087
N-[4-(azepan-1-yl)phenyl]-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 56523145
(2R)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 125057183
1-[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]-N-pentylpiperidine-4-carboxamide
CID 55718088
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 3242957
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzoic acid
CID 40801831

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide?
The IUPAC name of 3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide (CID 86990783) is 3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide.
What is the SMILES notation for 3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide?
The canonical SMILES for 3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide is CC1CCCN(CCCNC(=O)C(NC(=O)COc2ccccc2)C(C)C)C1.
What is the InChIKey of 3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide?
The InChIKey is ZLUGXDZOWWQMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-17(2)21(24-20(26)16-28-19-10-5-4-6-11-19)22(27)23-12-8-14-25-13-7-9-18(3)15-25/h4-6,10-11,17-18,21H,7-9,12-16H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide?
3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide has a molecular weight of 389.54 g/mol, XLogP of 2.44, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide is sourced from PubChem (CID 86990783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).