4-methoxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide

C17H33N3O2 — CID 119863623

IUPAC4-methoxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCC(C)(C)N2CCCC(C)C2)CCNCC1
InChIInChI=1S/C17H33N3O2/c1-14-6-5-11-20(12-14)16(2,3)13-19-15(21)17(22-4)7-9-18-10-8-17/h14,18H,5-13H2,1-4H3,(H,19,21)
InChIKeyRBYYKGBQZZNPJU-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.38
Rot. Bonds5

About 4-methoxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide

4-methoxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 119863623) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 4-methoxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
PubChem CID119863623
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name4-methoxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCC(C)(C)N2CCCC(C)C2)CCNCC1
InChIInChI=1S/C17H33N3O2/c1-14-6-5-11-20(12-14)16(2,3)13-19-15(21)17(22-4)7-9-18-10-8-17/h14,18H,5-13H2,1-4H3,(H,19,21)
InChIKeyRBYYKGBQZZNPJU-UHFFFAOYSA-N
XLogP1.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide
CID 111443816
3-hydroxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-1-carboxamide
CID 110903346
5-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119863571
4-methoxy-N-(2,2,4-trimethylpentyl)piperidine-4-carboxamide;hydrochloride
CID 119820271
4-methoxy-N-[(2-methylcyclohexyl)methyl]piperidine-4-carboxamide
CID 119750242
(2S)-2-(dimethylamino)-3-methyl-N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]butanamide
CID 96539152
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111607295
N-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide
CID 119790891
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide
CID 119851284
(E)-3-(3,5-dimethoxyphenyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]prop-2-enamide
CID 60568930
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120640871
ethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate
CID 119706107

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide (CID 119863623) is 4-methoxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide is COC1(C(=O)NCC(C)(C)N2CCCC(C)C2)CCNCC1.
What is the InChIKey of 4-methoxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
The InChIKey is RBYYKGBQZZNPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-14-6-5-11-20(12-14)16(2,3)13-19-15(21)17(22-4)7-9-18-10-8-17/h14,18H,5-13H2,1-4H3,(H,19,21).
What are the key properties of 4-methoxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?
4-methoxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 119863623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).