N-[(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(1-methylimidazol-4-yl)methyl]piperidin-3-yl]acetamide

C19H25FN4O — CID 155990618

IUPACN-[(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(1-methylimidazol-4-yl)methyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(Cc2cn(C)cn2)[C@H]1Cc1ccc(F)cc1
InChIInChI=1S/C19H25FN4O/c1-14(25)22-18-4-3-9-24(12-17-11-23(2)13-21-17)19(18)10-15-5-7-16(20)8-6-15/h5-8,11,13,18-19H,3-4,9-10,12H2,1-2H3,(H,22,25)/t18-,19-/m0/s1
InChIKeyXZPIZGOFMTYUGJ-OALUTQOASA-N
MW344.43 g/mol
LogP2.27
Rot. Bonds5

About N-[(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(1-methylimidazol-4-yl)methyl]piperidin-3-yl]acetamide

N-[(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(1-methylimidazol-4-yl)methyl]piperidin-3-yl]acetamide (PubChem CID 155990618) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is N-[(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(1-methylimidazol-4-yl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(1-methylimidazol-4-yl)methyl]piperidin-3-yl]acetamide
PubChem CID155990618
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC NameN-[(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(1-methylimidazol-4-yl)methyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(Cc2cn(C)cn2)[C@H]1Cc1ccc(F)cc1
InChIInChI=1S/C19H25FN4O/c1-14(25)22-18-4-3-9-24(12-17-11-23(2)13-21-17)19(18)10-15-5-7-16(20)8-6-15/h5-8,11,13,18-19H,3-4,9-10,12H2,1-2H3,(H,22,25)/t18-,19-/m0/s1
InChIKeyXZPIZGOFMTYUGJ-OALUTQOASA-N
XLogP2.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(3-methylimidazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 155990599
N-[(2S,3S)-2-[(3-fluorophenyl)methyl]-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]acetamide
CID 155992615
(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 155990745
methyl 1-[[(2R)-2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-triazole-3-carboxylate
CID 94810663
2-[(4-fluorophenyl)methyl]-1-[(1-phenylimidazol-4-yl)methyl]piperidine;dihydrochloride
CID 19598354
5-[[(2S,3S)-2-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-2-methylpyrimidine
CID 175655340
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
N-[(3S)-1-[(4-fluorophenyl)methylsulfonyl]piperidin-3-yl]acetamide
CID 97313143
N-(2,5-dimethylpyrazol-3-yl)-2-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 47069538
N-[3-[5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91777653
4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide
CID 156607773
4-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1-phenylpyrazole-3-carboxylic acid
CID 166253630

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(1-methylimidazol-4-yl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(1-methylimidazol-4-yl)methyl]piperidin-3-yl]acetamide (CID 155990618) is N-[(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(1-methylimidazol-4-yl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(1-methylimidazol-4-yl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(1-methylimidazol-4-yl)methyl]piperidin-3-yl]acetamide is CC(=O)N[C@H]1CCCN(Cc2cn(C)cn2)[C@H]1Cc1ccc(F)cc1.
What is the InChIKey of N-[(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(1-methylimidazol-4-yl)methyl]piperidin-3-yl]acetamide?
The InChIKey is XZPIZGOFMTYUGJ-OALUTQOASA-N. The full InChI is InChI=1S/C19H25FN4O/c1-14(25)22-18-4-3-9-24(12-17-11-23(2)13-21-17)19(18)10-15-5-7-16(20)8-6-15/h5-8,11,13,18-19H,3-4,9-10,12H2,1-2H3,(H,22,25)/t18-,19-/m0/s1.
What are the key properties of N-[(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(1-methylimidazol-4-yl)methyl]piperidin-3-yl]acetamide?
N-[(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(1-methylimidazol-4-yl)methyl]piperidin-3-yl]acetamide has a molecular weight of 344.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(1-methylimidazol-4-yl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 155990618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).