[3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone

C15H26N4O — CID 103510164

IUPAC[3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCCCNC1CCN(C(=O)c2cncn2C)CC1CC
InChIInChI=1S/C15H26N4O/c1-4-7-17-13-6-8-19(10-12(13)5-2)15(20)14-9-16-11-18(14)3/h9,11-13,17H,4-8,10H2,1-3H3
InChIKeyBDFDNPRCZCBAJD-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.66
Rot. Bonds5

About [3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone

[3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 103510164) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID103510164
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCCCNC1CCN(C(=O)c2cncn2C)CC1CC
InChIInChI=1S/C15H26N4O/c1-4-7-17-13-6-8-19(10-12(13)5-2)15(20)14-9-16-11-18(14)3/h9,11-13,17H,4-8,10H2,1-3H3
InChIKeyBDFDNPRCZCBAJD-UHFFFAOYSA-N
XLogP1.66
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-[3-ethyl-4-(propylamino)piperidin-1-yl]methanone
CID 102801020
[3-(ethylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510154
methyl 1-(3-methylimidazole-4-carbonyl)pyrrolidine-3-carboxylate
CID 103511730
[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 114506968
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 103510374
1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 114449206
[3-ethyl-4-(ethylamino)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115707
[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 114507042
(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512083
[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510238
2-cyclopentyl-1-[3-ethyl-4-(propylamino)piperidin-1-yl]ethanone
CID 114506917

Frequently Asked Questions

What is the IUPAC name of [3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone (CID 103510164) is [3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone is CCCNC1CCN(C(=O)c2cncn2C)CC1CC.
What is the InChIKey of [3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is BDFDNPRCZCBAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-7-17-13-6-8-19(10-12(13)5-2)15(20)14-9-16-11-18(14)3/h9,11-13,17H,4-8,10H2,1-3H3.
What are the key properties of [3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone?
[3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 278.40 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethyl-4-(propylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 103510164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).