N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide

C18H22N4O2 — CID 90492606

IUPACN-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(Cn2ccnc2)CC1)c1ccccc1
InChIInChI=1S/C18H22N4O2/c23-17(12-20-18(24)16-4-2-1-3-5-16)22-9-6-15(7-10-22)13-21-11-8-19-14-21/h1-5,8,11,14-15H,6-7,9-10,12-13H2,(H,20,24)
InChIKeyOTUMVYJIZXZIBY-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.55
Rot. Bonds5

About N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide

N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 90492606) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID90492606
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(Cn2ccnc2)CC1)c1ccccc1
InChIInChI=1S/C18H22N4O2/c23-17(12-20-18(24)16-4-2-1-3-5-16)22-9-6-15(7-10-22)13-21-11-8-19-14-21/h1-5,8,11,14-15H,6-7,9-10,12-13H2,(H,20,24)
InChIKeyOTUMVYJIZXZIBY-UHFFFAOYSA-N
XLogP1.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(imidazol-1-ylmethyl)-1-oxo-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide
CID 172656843
N-[2-oxo-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]benzamide
CID 90492929
N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110745924
4-(imidazol-1-ylmethyl)-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 90493869
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone
CID 110855809
methyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
CID 139900806
1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 52992527
3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 90492630
N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110743431
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 90493140

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide (CID 90492606) is N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCC(Cn2ccnc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is OTUMVYJIZXZIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17(12-20-18(24)16-4-2-1-3-5-16)22-9-6-15(7-10-22)13-21-11-8-19-14-21/h1-5,8,11,14-15H,6-7,9-10,12-13H2,(H,20,24).
What are the key properties of N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 90492606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).