hexyl 2-[2-[3-(4-morpholin-4-ylpiperidin-1-yl)-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride

C23H39ClN4O4 — CID 134205501

IUPAChexyl 2-[2-[3-(4-morpholin-4-ylpiperidin-1-yl)-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride
SMILESCCCCCCOC(=O)Cn1ccnc1CCC(=O)N1CCC(N2CCOCC2)CC1.Cl
InChIInChI=1S/C23H38N4O4.ClH/c1-2-3-4-5-16-31-23(29)19-27-13-10-24-21(27)6-7-22(28)26-11-8-20(9-12-26)25-14-17-30-18-15-25;/h10,13,20H,2-9,11-12,14-19H2,1H3;1H
InChIKeyDUBBVFBMILJZGW-UHFFFAOYSA-N
MW471.04 g/mol
LogP2.68
Rot. Bonds11

About hexyl 2-[2-[3-(4-morpholin-4-ylpiperidin-1-yl)-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride

hexyl 2-[2-[3-(4-morpholin-4-ylpiperidin-1-yl)-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride (PubChem CID 134205501) has the molecular formula C23H39ClN4O4 and a molecular weight of 471.04 g/mol. Its IUPAC name is hexyl 2-[2-[3-(4-morpholin-4-ylpiperidin-1-yl)-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride.

Molecular Properties

Compound Namehexyl 2-[2-[3-(4-morpholin-4-ylpiperidin-1-yl)-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride
PubChem CID134205501
Molecular FormulaC23H39ClN4O4
Molecular Weight471.04 g/mol
Exact Mass470.27
IUPAC Namehexyl 2-[2-[3-(4-morpholin-4-ylpiperidin-1-yl)-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride
SMILESCCCCCCOC(=O)Cn1ccnc1CCC(=O)N1CCC(N2CCOCC2)CC1.Cl
InChIInChI=1S/C23H38N4O4.ClH/c1-2-3-4-5-16-31-23(29)19-27-13-10-24-21(27)6-7-22(28)26-11-8-20(9-12-26)25-14-17-30-18-15-25;/h10,13,20H,2-9,11-12,14-19H2,1H3;1H
InChIKeyDUBBVFBMILJZGW-UHFFFAOYSA-N
XLogP2.68
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.04
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze hexyl 2-[2-[3-(4-morpholin-4-ylpiperidin-1-yl)-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride with MolForge

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Related Compounds

heptan-2-yl 2-[2-[3-(4-morpholin-4-ylpiperidin-1-yl)-3-oxopropyl]imidazol-1-yl]acetate
CID 134427995
butyl 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride
CID 121452464
[2-(dimethylamino)-2-oxoethyl] 2-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride
CID 121452432
butyl 2-[2-(hydroxymethyl)imidazol-1-yl]acetate
CID 62223337
3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 139544025
2-[2-[3-[4-(diethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride
CID 121452447
1-[2-[3-[4-(dimethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]-3-methylpentan-2-one
CID 155065962
1-morpholin-4-ylheptan-1-one;hydrochloride
CID 175124060
3-[1-(2-aminoethyl)imidazol-2-yl]-1-(4-hydrazinylpiperidin-1-yl)propan-1-one
CID 122448182
tetradecyl 3-morpholin-4-ylpropanoate
CID 59204007
ethyl 5-[2-(morpholin-4-ylmethyl)imidazol-1-yl]pentanoate
CID 167876752
2-[2-(2-morpholin-4-ylethyl)imidazol-1-yl]acetic acid
CID 82560173

Frequently Asked Questions

What is the IUPAC name of hexyl 2-[2-[3-(4-morpholin-4-ylpiperidin-1-yl)-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride?
The IUPAC name of hexyl 2-[2-[3-(4-morpholin-4-ylpiperidin-1-yl)-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride (CID 134205501) is hexyl 2-[2-[3-(4-morpholin-4-ylpiperidin-1-yl)-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride.
What is the SMILES notation for hexyl 2-[2-[3-(4-morpholin-4-ylpiperidin-1-yl)-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride?
The canonical SMILES for hexyl 2-[2-[3-(4-morpholin-4-ylpiperidin-1-yl)-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride is CCCCCCOC(=O)Cn1ccnc1CCC(=O)N1CCC(N2CCOCC2)CC1.Cl.
What is the InChIKey of hexyl 2-[2-[3-(4-morpholin-4-ylpiperidin-1-yl)-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride?
The InChIKey is DUBBVFBMILJZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O4.ClH/c1-2-3-4-5-16-31-23(29)19-27-13-10-24-21(27)6-7-22(28)26-11-8-20(9-12-26)25-14-17-30-18-15-25;/h10,13,20H,2-9,11-12,14-19H2,1H3;1H.
What are the key properties of hexyl 2-[2-[3-(4-morpholin-4-ylpiperidin-1-yl)-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride?
hexyl 2-[2-[3-(4-morpholin-4-ylpiperidin-1-yl)-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride has a molecular weight of 471.04 g/mol, XLogP of 2.68, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-[2-[3-(4-morpholin-4-ylpiperidin-1-yl)-3-oxopropyl]imidazol-1-yl]acetate;hydrochloride is sourced from PubChem (CID 134205501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).