2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide

C17H18ClFN4O2 — CID 97273673

IUPAC2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C17H18ClFN4O2/c18-12-3-4-14(19)13(8-12)17(25)23-6-1-2-11(9-23)16-21-5-7-22(16)10-15(20)24/h3-5,7-8,11H,1-2,6,9-10H2,(H2,20,24)/t11-/m0/s1
InChIKeyJWMXDWWUCKJXKU-NSHDSACASA-N
MW364.81 g/mol
LogP2.18
Rot. Bonds4

About 2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 97273673) has the molecular formula C17H18ClFN4O2 and a molecular weight of 364.81 g/mol. Its IUPAC name is 2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID97273673
Molecular FormulaC17H18ClFN4O2
Molecular Weight364.81 g/mol
Exact Mass364.11
IUPAC Name2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1
InChIInChI=1S/C17H18ClFN4O2/c18-12-3-4-14(19)13(8-12)17(25)23-6-1-2-11(9-23)16-21-5-7-22(16)10-15(20)24/h3-5,7-8,11H,1-2,6,9-10H2,(H2,20,24)/t11-/m0/s1
InChIKeyJWMXDWWUCKJXKU-NSHDSACASA-N
XLogP2.18
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(4-chloro-2-methylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72878743
2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276088
2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72914128
2-[2-[(3S)-1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97278954
2-[2-[(3R)-1-[4-(4-chlorophenyl)butanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276039
2-[2-[(3S)-1-(5-cyclohexyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97270117
2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269284
2-[2-[(3R)-1-(2-propoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97280164
2-[2-[(3S)-1-(5-phenyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282137
2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269942
(4-chloro-2-methylphenyl)-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97268879
2-[2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283989

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide (CID 97273673) is 2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide is NC(=O)Cn1ccnc1[C@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1.
What is the InChIKey of 2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is JWMXDWWUCKJXKU-NSHDSACASA-N. The full InChI is InChI=1S/C17H18ClFN4O2/c18-12-3-4-14(19)13(8-12)17(25)23-6-1-2-11(9-23)16-21-5-7-22(16)10-15(20)24/h3-5,7-8,11H,1-2,6,9-10H2,(H2,20,24)/t11-/m0/s1.
What are the key properties of 2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 364.81 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 97273673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).