(2-chloro-4-fluorophenyl)-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone

C19H24ClFN4O — CID 97207431

IUPAC(2-chloro-4-fluorophenyl)-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
SMILESCN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1
InChIInChI=1S/C19H24ClFN4O/c1-23(2)10-11-24-9-7-22-18(24)14-4-3-8-25(13-14)19(26)16-6-5-15(21)12-17(16)20/h5-7,9,12,14H,3-4,8,10-11,13H2,1-2H3/t14-/m1/s1
InChIKeyPCCYNLUYARDWIN-CQSZACIVSA-N
MW378.88 g/mol
LogP3.26
Rot. Bonds5

About (2-chloro-4-fluorophenyl)-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone

(2-chloro-4-fluorophenyl)-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97207431) has the molecular formula C19H24ClFN4O and a molecular weight of 378.88 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID97207431
Molecular FormulaC19H24ClFN4O
Molecular Weight378.88 g/mol
Exact Mass378.16
IUPAC Name(2-chloro-4-fluorophenyl)-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
SMILESCN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1
InChIInChI=1S/C19H24ClFN4O/c1-23(2)10-11-24-9-7-22-18(24)14-4-3-8-25(13-14)19(26)16-6-5-15(21)12-17(16)20/h5-7,9,12,14H,3-4,8,10-11,13H2,1-2H3/t14-/m1/s1
InChIKeyPCCYNLUYARDWIN-CQSZACIVSA-N
XLogP3.26
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone
CID 97268736
[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxy-2-methylphenyl)methanone
CID 72867995
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 97198762
(3,4-dimethoxyphenyl)-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 72883629
1-[5-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 72842343
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 97202742
[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 72850501
[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 97268476
1-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 72921411
1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2,3,4-trifluorophenyl)ethanone
CID 72857287
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methoxyfuran-2-yl)methanone
CID 97196493
[(3R)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-(4,6-dimethyl-3-pyridinyl)methanone
CID 97205887

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone (CID 97207431) is (2-chloro-4-fluorophenyl)-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone is CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(F)cc2Cl)C1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is PCCYNLUYARDWIN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24ClFN4O/c1-23(2)10-11-24-9-7-22-18(24)14-4-3-8-25(13-14)19(26)16-6-5-15(21)12-17(16)20/h5-7,9,12,14H,3-4,8,10-11,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (2-chloro-4-fluorophenyl)-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone?
(2-chloro-4-fluorophenyl)-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 378.88 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97207431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).