N-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide

C18H23FN4O — CID 90493771

IUPACN-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(Cn2ccnc2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C18H23FN4O/c19-17-3-1-15(2-4-17)11-21-18(24)13-22-8-5-16(6-9-22)12-23-10-7-20-14-23/h1-4,7,10,14,16H,5-6,8-9,11-13H2,(H,21,24)
InChIKeyAUAAJIQACVNXKS-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.05
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 90493771) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID90493771
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(Cn2ccnc2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C18H23FN4O/c19-17-3-1-15(2-4-17)11-21-18(24)13-22-8-5-16(6-9-22)12-23-10-7-20-14-23/h1-4,7,10,14,16H,5-6,8-9,11-13H2,(H,21,24)
InChIKeyAUAAJIQACVNXKS-UHFFFAOYSA-N
XLogP2.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90493767
N-[(4-fluorophenyl)methyl]-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923412
1-[(4-fluorophenyl)methylsulfonyl]-4-(imidazol-1-ylmethyl)piperidine
CID 90493928
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
2-[4-[(7-fluoro-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 163345436
2-[4-(5-fluorobenzimidazol-1-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 1469402
N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 91838315
N-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90493777
1-[(2,5-difluorophenyl)methyl]-4-(imidazol-1-ylmethyl)piperidine
CID 90493839
(2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 95722375
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389
N-[(4-fluorophenyl)methyl]-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902356

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide (CID 90493771) is N-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide is O=C(CN1CCC(Cn2ccnc2)CC1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is AUAAJIQACVNXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c19-17-3-1-15(2-4-17)11-21-18(24)13-22-8-5-16(6-9-22)12-23-10-7-20-14-23/h1-4,7,10,14,16H,5-6,8-9,11-13H2,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 330.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 90493771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).