2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one

C19H33N5O — CID 75369808

IUPAC2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCn1ccnc1CN1CCN(C(C)C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C19H33N5O/c1-4-22-10-7-20-18(22)15-21-11-13-23(14-12-21)17(3)19(25)24-8-5-16(2)6-9-24/h7,10,16-17H,4-6,8-9,11-15H2,1-3H3
InChIKeyHSIKTXUHYNNDLX-UHFFFAOYSA-N
MW347.51 g/mol
LogP1.67
Rot. Bonds5

About 2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one

2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 75369808) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID75369808
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCn1ccnc1CN1CCN(C(C)C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C19H33N5O/c1-4-22-10-7-20-18(22)15-21-11-13-23(14-12-21)17(3)19(25)24-8-5-16(2)6-9-24/h7,10,16-17H,4-6,8-9,11-15H2,1-3H3
InChIKeyHSIKTXUHYNNDLX-UHFFFAOYSA-N
XLogP1.67
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one (CID 75369808) is 2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one is CCn1ccnc1CN1CCN(C(C)C(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of 2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is HSIKTXUHYNNDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-4-22-10-7-20-18(22)15-21-11-13-23(14-12-21)17(3)19(25)24-8-5-16(2)6-9-24/h7,10,16-17H,4-6,8-9,11-15H2,1-3H3.
What are the key properties of 2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one?
2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 347.51 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 75369808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).