3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one

C19H34N4O — CID 139544025

IUPAC3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
SMILESCCCCn1ccnc1CCC(=O)N1CCC(N(CC)CC)CC1
InChIInChI=1S/C19H34N4O/c1-4-7-13-22-16-12-20-18(22)8-9-19(24)23-14-10-17(11-15-23)21(5-2)6-3/h12,16-17H,4-11,13-15H2,1-3H3
InChIKeyLHNNNGWEPGMCLM-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.95
Rot. Bonds9

About 3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one

3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one (PubChem CID 139544025) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is 3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
PubChem CID139544025
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
SMILESCCCCn1ccnc1CCC(=O)N1CCC(N(CC)CC)CC1
InChIInChI=1S/C19H34N4O/c1-4-7-13-22-16-12-20-18(22)8-9-19(24)23-14-10-17(11-15-23)21(5-2)6-3/h12,16-17H,4-11,13-15H2,1-3H3
InChIKeyLHNNNGWEPGMCLM-UHFFFAOYSA-N
XLogP2.95
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-[4-(diethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride
CID 121452447
butyl 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride
CID 121452464
3-[2-[3-[3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid
CID 121452441
3-[2-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-oxopropyl]imidazol-1-yl]propanoic acid;hydrochloride
CID 121452438
1-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]-3-methylpentan-2-one
CID 155065962
3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one
CID 122448182
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 70781021
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 72854193
1-[4-(dimethylamino)piperidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one;sulfuric acid
CID 172727257
1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propan-1-one
CID 97269439
1-[3-(dimethylamino)azetidin-1-yl]-3-[1-(2-ethoxyethyl)imidazol-2-yl]propan-1-one
CID 134220583
1-[3-(dimethylamino)piperidin-1-yl]-3-[1-(2-methoxyethyl)imidazol-2-yl]propan-1-one
CID 122582722

Frequently Asked Questions

What is the IUPAC name of 3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one (CID 139544025) is 3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one is CCCCn1ccnc1CCC(=O)N1CCC(N(CC)CC)CC1.
What is the InChIKey of 3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one?
The InChIKey is LHNNNGWEPGMCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-4-7-13-22-16-12-20-18(22)8-9-19(24)23-14-10-17(11-15-23)21(5-2)6-3/h12,16-17H,4-11,13-15H2,1-3H3.
What are the key properties of 3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one?
3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one has a molecular weight of 334.51 g/mol, XLogP of 2.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 139544025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).