1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one

C15H29NO3 — CID 164557491

IUPAC1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one
SMILESCCCCCOCCOC1CCN(C(=O)CC)CC1
InChIInChI=1S/C15H29NO3/c1-3-5-6-11-18-12-13-19-14-7-9-16(10-8-14)15(17)4-2/h14H,3-13H2,1-2H3
InChIKeyNLLPJBYTGYJJNV-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.61
Rot. Bonds9

About 1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one

1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one (PubChem CID 164557491) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one
PubChem CID164557491
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one
SMILESCCCCCOCCOC1CCN(C(=O)CC)CC1
InChIInChI=1S/C15H29NO3/c1-3-5-6-11-18-12-13-19-14-7-9-16(10-8-14)15(17)4-2/h14H,3-13H2,1-2H3
InChIKeyNLLPJBYTGYJJNV-UHFFFAOYSA-N
XLogP2.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-butoxypiperidin-1-yl)propan-1-one
CID 156794583
1-[4-(2-ethoxyethoxy)piperidin-1-yl]propan-1-one
CID 60775999
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
1-[4-(2-aminoethoxy)piperidin-1-yl]decan-1-one
CID 82688423
methyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate
CID 143455323
4-amino-1-[4-(2-ethoxyethoxy)piperidin-1-yl]butan-1-one
CID 54872251
4-butoxypiperidine-1-carboxylic acid
CID 69380286
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one
CID 79736848
ethyl 4-[4-(2-ethoxyethoxy)piperidin-1-yl]-4-oxobutanoate
CID 60776132
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741
1-[4-(2-aminoethoxy)piperidin-1-yl]butan-1-one
CID 82702018
2-(azetidin-3-yl)-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone
CID 64611799

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one (CID 164557491) is 1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one is CCCCCOCCOC1CCN(C(=O)CC)CC1.
What is the InChIKey of 1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one?
The InChIKey is NLLPJBYTGYJJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-5-6-11-18-12-13-19-14-7-9-16(10-8-14)15(17)4-2/h14H,3-13H2,1-2H3.
What are the key properties of 1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one?
1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one has a molecular weight of 271.40 g/mol, XLogP of 2.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-pentoxyethoxy)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 164557491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).