N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide

C12H22N2O2 — CID 65419155

IUPACN-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCC1CCCN(C)C1
InChIInChI=1S/C12H22N2O2/c1-10(15)5-6-12(16)13-8-11-4-3-7-14(2)9-11/h11H,3-9H2,1-2H3,(H,13,16)
InChIKeyHKHOXZULCSGQJB-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.81
Rot. Bonds5

About N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide

N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide (PubChem CID 65419155) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide
PubChem CID65419155
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCC1CCCN(C)C1
InChIInChI=1S/C12H22N2O2/c1-10(15)5-6-12(16)13-8-11-4-3-7-14(2)9-11/h11H,3-9H2,1-2H3,(H,13,16)
InChIKeyHKHOXZULCSGQJB-UHFFFAOYSA-N
XLogP0.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide
CID 65419153
N-(cyclohexylmethyl)-4-oxopentanamide
CID 60637241
3-[(1-methylpiperidin-3-yl)methylamino]-N-propylpropanamide
CID 62659462
N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 95201029
4-amino-3,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 115157360
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide
CID 95209551
2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 103515649
N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide
CID 106135913
2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271888
2-[1-(methylamino)cyclohexyl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 65242512
4,4,4-trifluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide
CID 95212961
N,N'-bis[(1-methylpyrrolidin-3-yl)methyl]-3-oxopentanediamide
CID 20664945

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide?
The IUPAC name of N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide (CID 65419155) is N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide.
What is the SMILES notation for N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide?
The canonical SMILES for N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide is CC(=O)CCC(=O)NCC1CCCN(C)C1.
What is the InChIKey of N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide?
The InChIKey is HKHOXZULCSGQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(15)5-6-12(16)13-8-11-4-3-7-14(2)9-11/h11H,3-9H2,1-2H3,(H,13,16).
What are the key properties of N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide?
N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide has a molecular weight of 226.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide is sourced from PubChem (CID 65419155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).