(4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone

C19H24FN3O — CID 97074751

IUPAC(4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone
SMILESCc1nccn1CCCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H24FN3O/c1-15-21-9-13-23(15)12-3-11-22-10-2-4-17(14-22)19(24)16-5-7-18(20)8-6-16/h5-9,13,17H,2-4,10-12,14H2,1H3/t17-/m0/s1
InChIKeyRQFUMIKHBYTHSQ-KRWDZBQOSA-N
MW329.42 g/mol
LogP3.32
Rot. Bonds6

About (4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone

(4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone (PubChem CID 97074751) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone
PubChem CID97074751
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name(4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone
SMILESCc1nccn1CCCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H24FN3O/c1-15-21-9-13-23(15)12-3-11-22-10-2-4-17(14-22)19(24)16-5-7-18(20)8-6-16/h5-9,13,17H,2-4,10-12,14H2,1H3/t17-/m0/s1
InChIKeyRQFUMIKHBYTHSQ-KRWDZBQOSA-N
XLogP3.32
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[1-(2-hydroxy-2-methylpropyl)piperidin-3-yl]methanone
CID 111436466
(4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 95130724
1-[3-[3-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-2-methylimidazole
CID 86814329
1-[[3-(4-fluorobenzoyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 154746801
4-(2-methylimidazol-1-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 95788736
3-[1-(cyclobutylmethyl)imidazol-2-yl]-1-[3-(2-methylimidazol-1-yl)propyl]piperidine
CID 72877825
(4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 45229638
(4-chlorophenyl)-[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methanone
CID 42209681
(3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 42403988
1-[(3R)-3-(3-fluorophenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 95341210
ethyl (3R)-1-[3-[2,2-bis(4-fluorophenyl)ethenoxy]propyl]piperidine-3-carboxylate;hydrochloride
CID 139817250
phenyl-(1-propylpiperidin-3-yl)methanone
CID 91406553

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone (CID 97074751) is (4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone is Cc1nccn1CCCN1CCC[C@H](C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone?
The InChIKey is RQFUMIKHBYTHSQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-15-21-9-13-23(15)12-3-11-22-10-2-4-17(14-22)19(24)16-5-7-18(20)8-6-16/h5-9,13,17H,2-4,10-12,14H2,1H3/t17-/m0/s1.
What are the key properties of (4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone?
(4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone has a molecular weight of 329.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone is sourced from PubChem (CID 97074751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).