N-(1-methylpiperidin-4-yl)-3-propoxypropanamide

C12H24N2O2 — CID 163560657

IUPACN-(1-methylpiperidin-4-yl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1CCN(C)CC1
InChIInChI=1S/C12H24N2O2/c1-3-9-16-10-6-12(15)13-11-4-7-14(2)8-5-11/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyFQXXJIGBIBJZQH-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.01
Rot. Bonds6

About N-(1-methylpiperidin-4-yl)-3-propoxypropanamide

N-(1-methylpiperidin-4-yl)-3-propoxypropanamide (PubChem CID 163560657) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-3-propoxypropanamide
PubChem CID163560657
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(1-methylpiperidin-4-yl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1CCN(C)CC1
InChIInChI=1S/C12H24N2O2/c1-3-9-16-10-6-12(15)13-11-4-7-14(2)8-5-11/h11H,3-10H2,1-2H3,(H,13,15)
InChIKeyFQXXJIGBIBJZQH-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Acetyl-N-(2-methoxyethyl)piperidin-4-amine
CID 2761031
N-(1-propanoylpiperidin-4-yl)acetamide
CID 46228315
N-(1-acetylpiperidin-4-yl)propanamide
CID 46228316
1-(4-Aminopiperidin-1-yl)-3-methoxypropan-1-one
CID 62590206
N-cyclohexyl-3-methoxypropanamide
CID 62947051
N-[1-(3-methoxypropyl)piperidin-4-yl]cyclopropanecarboxamide
CID 51081731
N-[1-(3-methoxypropyl)piperidin-4-yl]-2-methylpropanamide
CID 53510761
propanamide, N-4-piperidinyl-N-(tetrahydro-2H-pyran-4-yl)-
CID 91916159
3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide
CID 124575480
3-Ethoxy-1-[4-(fluoroamino)piperidin-1-yl]propan-1-one
CID 59335514
Ethyl 2-fluoro-3-oxo-3-(piperidin-4-ylamino)propanoate
CID 86035299
N-[1-(2-methoxyethyl)piperidin-4-yl]propanamide
CID 71784690

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-3-propoxypropanamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-3-propoxypropanamide (CID 163560657) is N-(1-methylpiperidin-4-yl)-3-propoxypropanamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-3-propoxypropanamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-3-propoxypropanamide is CCCOCCC(=O)NC1CCN(C)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-3-propoxypropanamide?
The InChIKey is FQXXJIGBIBJZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-9-16-10-6-12(15)13-11-4-7-14(2)8-5-11/h11H,3-10H2,1-2H3,(H,13,15).
What are the key properties of N-(1-methylpiperidin-4-yl)-3-propoxypropanamide?
N-(1-methylpiperidin-4-yl)-3-propoxypropanamide has a molecular weight of 228.34 g/mol, XLogP of 1.01, 6 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)-3-propoxypropanamide is sourced from PubChem (CID 163560657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).