2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

C19H25FN4O — CID 124740922

IUPAC2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCn1ccnc1[C@@H]1CCCCN1CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H25FN4O/c1-2-23-12-10-21-19(23)17-5-3-4-11-24(17)14-18(25)22-13-15-6-8-16(20)9-7-15/h6-10,12,17H,2-5,11,13-14H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyVQEUWAKZOABISU-KRWDZBQOSA-N
MW344.43 g/mol
LogP2.89
Rot. Bonds6

About 2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 124740922) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID124740922
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCn1ccnc1[C@@H]1CCCCN1CC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H25FN4O/c1-2-23-12-10-21-19(23)17-5-3-4-11-24(17)14-18(25)22-13-15-6-8-16(20)9-7-15/h6-10,12,17H,2-5,11,13-14H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyVQEUWAKZOABISU-KRWDZBQOSA-N
XLogP2.89
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456048
2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
CID 119916095
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 17402111
2-(1-ethylimidazol-2-yl)-1-[(E)-4-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]but-2-enyl]piperidine
CID 166184255
N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 128983523
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 81493296
N-[(4-fluorophenyl)methyl]-2-[2-(2-pyrrolidin-1-yl-4-pyridinyl)imidazol-1-yl]acetamide
CID 53164362
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 95319020
3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 109021052
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-prop-2-ynylacetamide
CID 51339447
2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;dihydrochloride
CID 45284369
N-[(4-methoxyphenyl)methyl]-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120871315

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 124740922) is 2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is CCn1ccnc1[C@@H]1CCCCN1CC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is VQEUWAKZOABISU-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-2-23-12-10-21-19(23)17-5-3-4-11-24(17)14-18(25)22-13-15-6-8-16(20)9-7-15/h6-10,12,17H,2-5,11,13-14H2,1H3,(H,22,25)/t17-/m0/s1.
What are the key properties of 2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 344.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 124740922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).