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

C11H22N2O2 — CID 103866535

IUPAC4-methoxy-3-methyl-N-[(3S)-piperidin-3-yl]butanamide
SMILESCOCC(C)CC(=O)N[C@H]1CCCNC1
InChIInChI=1S/C11H22N2O2/c1-9(8-15-2)6-11(14)13-10-4-3-5-12-7-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyPSBMMUCNXODGAA-AXDSSHIGSA-N
MW214.31 g/mol
LogP0.53
Rot. Bonds5

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

4-methoxy-3-methyl-N-[(3S)-piperidin-3-yl]butanamide (PubChem CID 103866535) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[(3S)-piperidin-3-yl]butanamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[(3S)-piperidin-3-yl]butanamide
PubChem CID103866535
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-methoxy-3-methyl-N-[(3S)-piperidin-3-yl]butanamide
SMILESCOCC(C)CC(=O)N[C@H]1CCCNC1
InChIInChI=1S/C11H22N2O2/c1-9(8-15-2)6-11(14)13-10-4-3-5-12-7-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyPSBMMUCNXODGAA-AXDSSHIGSA-N
XLogP0.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-oxo-3-(piperidin-3-ylamino)propanoate
CID 117126379
2-methoxy-N-[(3S)-piperidin-3-yl]propanamide
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N-piperidin-3-ylpropanamide
CID 3520588
3,5,5-trimethyl-N-pyrrolidin-3-ylhexanamide
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N-piperidin-3-yl-N'-propan-2-ylpentanediamide
CID 119425960
3-(2,2-difluoroethoxy)-N-piperidin-3-ylpropanamide
CID 103206351
3-amino-N-(azepan-4-yl)butanamide
CID 130643383
2-ethoxy-N-[(3R)-piperidin-3-yl]acetamide
CID 28779924
2-methyl-N-[(3R)-piperidin-3-yl]propanamide;hydrochloride
CID 53256452
2-[methyl(propan-2-yl)amino]-N-piperidin-3-ylacetamide;dihydrochloride
CID 119424560
4-methyl-3-phenyl-N-piperidin-3-ylpentanamide;hydrochloride
CID 119424594
3-(3-methoxyphenyl)-N-piperidin-3-ylbutanamide;hydrochloride
CID 119427977

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[(3S)-piperidin-3-yl]butanamide?
The IUPAC name of 4-methoxy-3-methyl-N-[(3S)-piperidin-3-yl]butanamide (CID 103866535) is 4-methoxy-3-methyl-N-[(3S)-piperidin-3-yl]butanamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[(3S)-piperidin-3-yl]butanamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[(3S)-piperidin-3-yl]butanamide is COCC(C)CC(=O)N[C@H]1CCCNC1.
What is the InChIKey of 4-methoxy-3-methyl-N-[(3S)-piperidin-3-yl]butanamide?
The InChIKey is PSBMMUCNXODGAA-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(8-15-2)6-11(14)13-10-4-3-5-12-7-10/h9-10,12H,3-8H2,1-2H3,(H,13,14)/t9?,10-/m0/s1.
What are the key properties of 4-methoxy-3-methyl-N-[(3S)-piperidin-3-yl]butanamide?
4-methoxy-3-methyl-N-[(3S)-piperidin-3-yl]butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[(3S)-piperidin-3-yl]butanamide is sourced from PubChem (CID 103866535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).