3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide

C13H26N2O2 — CID 103019709

IUPAC3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide
SMILESCOC(C)(C)CC(=O)NCC1CCNCC1C
InChIInChI=1S/C13H26N2O2/c1-10-8-14-6-5-11(10)9-15-12(16)7-13(2,3)17-4/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyDEEFTRYPIPFGEX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.16
Rot. Bonds5

About 3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide

3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide (PubChem CID 103019709) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide
PubChem CID103019709
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide
SMILESCOC(C)(C)CC(=O)NCC1CCNCC1C
InChIInChI=1S/C13H26N2O2/c1-10-8-14-6-5-11(10)9-15-12(16)7-13(2,3)17-4/h10-11,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyDEEFTRYPIPFGEX-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxy-3-methylbutyl)-3-methylpiperidine
CID 106777691
N-[[(3R,4S)-3-methylpiperidin-4-yl]methyl]acetamide
CID 129381532
3,3-dimethyl-N-[(4-methylpiperidin-3-yl)methyl]butanamide
CID 114955766
propan-2-yl N-[(3-methylpiperidin-4-yl)methyl]carbamate
CID 114700132
5-methyl-N-[(3-methylpiperidin-4-yl)methyl]oxolane-2-carboxamide
CID 114699971
1-cyclooctyl-3-[(3-methylpiperidin-4-yl)methyl]urea
CID 166259351
2-(2,6-difluorophenyl)-N-[(3-methylpiperidin-4-yl)methyl]acetamide
CID 114700053
N-[(4-methylpiperidin-3-yl)methyl]propanamide
CID 114955720
4-methoxy-N-[(4-methylpiperidin-3-yl)methyl]butanamide
CID 114955807
3,3-difluoro-N-[(3-methylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 114226274
4-methoxy-N-[(4-methylpiperidin-3-yl)methyl]pentanamide
CID 114955742
2,5-dimethoxy-N-[(3-methylpiperidin-4-yl)methyl]benzamide
CID 114699962

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide?
The IUPAC name of 3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide (CID 103019709) is 3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide.
What is the SMILES notation for 3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide?
The canonical SMILES for 3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide is COC(C)(C)CC(=O)NCC1CCNCC1C.
What is the InChIKey of 3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide?
The InChIKey is DEEFTRYPIPFGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10-8-14-6-5-11(10)9-15-12(16)7-13(2,3)17-4/h10-11,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide?
3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide has a molecular weight of 242.36 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-[(3-methylpiperidin-4-yl)methyl]butanamide is sourced from PubChem (CID 103019709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).