1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one

C21H29N3O — CID 70721040

IUPAC1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
SMILESCCn1ccnc1C1CCCN(C(=O)CCCCc2ccccc2)C1
InChIInChI=1S/C21H29N3O/c1-2-23-16-14-22-21(23)19-12-8-15-24(17-19)20(25)13-7-6-11-18-9-4-3-5-10-18/h3-5,9-10,14,16,19H,2,6-8,11-13,15,17H2,1H3
InChIKeyUCXDBPJPDMIGON-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.02
Rot. Bonds7

About 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one

1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one (PubChem CID 70721040) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one.

Molecular Properties

Compound Name1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
PubChem CID70721040
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
SMILESCCn1ccnc1C1CCCN(C(=O)CCCCc2ccccc2)C1
InChIInChI=1S/C21H29N3O/c1-2-23-16-14-22-21(23)19-12-8-15-24(17-19)20(25)13-7-6-11-18-9-4-3-5-10-18/h3-5,9-10,14,16,19H,2,6-8,11-13,15,17H2,1H3
InChIKeyUCXDBPJPDMIGON-UHFFFAOYSA-N
XLogP4.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 70725342
(E)-1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]pent-3-en-1-one
CID 97284839
1-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 96574284
1-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70728894
3-[3-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 97278686
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 97200732
3-[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 96579021
1-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfanylphenyl)ethanone
CID 97134586
3-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 96579022
2-[2-[(3R)-1-[4-(4-chlorophenyl)butanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276039
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72850820
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97133000

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one?
The IUPAC name of 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one (CID 70721040) is 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one.
What is the SMILES notation for 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one?
The canonical SMILES for 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one is CCn1ccnc1C1CCCN(C(=O)CCCCc2ccccc2)C1.
What is the InChIKey of 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one?
The InChIKey is UCXDBPJPDMIGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-2-23-16-14-22-21(23)19-12-8-15-24(17-19)20(25)13-7-6-11-18-9-4-3-5-10-18/h3-5,9-10,14,16,19H,2,6-8,11-13,15,17H2,1H3.
What are the key properties of 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one?
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one has a molecular weight of 339.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one is sourced from PubChem (CID 70721040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).