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

C12H22N2O2 — CID 65419153

IUPACN-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCC1CCN(C)CC1
InChIInChI=1S/C12H22N2O2/c1-10(15)3-4-12(16)13-9-11-5-7-14(2)8-6-11/h11H,3-9H2,1-2H3,(H,13,16)
InChIKeyZTUGJPXOOKJDOC-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.81
Rot. Bonds5

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

N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide (PubChem CID 65419153) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide
PubChem CID65419153
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCC1CCN(C)CC1
InChIInChI=1S/C12H22N2O2/c1-10(15)3-4-12(16)13-9-11-5-7-14(2)8-6-11/h11H,3-9H2,1-2H3,(H,13,16)
InChIKeyZTUGJPXOOKJDOC-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-3-yl)methyl]-4-oxopentanamide
CID 65419155
N-(cyclohexylmethyl)-4-oxopentanamide
CID 60637241
2-(cyclopropylmethylamino)-N-[(1-methylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119866901
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 144702610
N-[(1-methylpiperidin-4-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605397
N-[(3-hydroxycyclopentyl)methyl]-4-oxopentanamide
CID 106135905
4,4,4-trifluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide
CID 95212961
3-[(1-methylpiperidin-4-yl)methylamino]-N-propylpropanamide
CID 62659463
N,N'-bis[(1-methylpyrrolidin-3-yl)methyl]-3-oxopentanediamide
CID 20664945
3-cyano-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 115173838
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
4-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-one
CID 115235752

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide (CID 65419153) is N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide is CC(=O)CCC(=O)NCC1CCN(C)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide?
The InChIKey is ZTUGJPXOOKJDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(15)3-4-12(16)13-9-11-5-7-14(2)8-6-11/h11H,3-9H2,1-2H3,(H,13,16).
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-4-oxopentanamide?
N-[(1-methylpiperidin-4-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-4-yl)methyl]-4-oxopentanamide is sourced from PubChem (CID 65419153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).