(3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone

C17H19ClFN3O — CID 97133821

IUPAC(3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCn1ccnc1[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C17H19ClFN3O/c1-2-21-7-5-20-16(21)12-4-3-6-22(11-12)17(23)13-8-14(18)10-15(19)9-13/h5,7-10,12H,2-4,6,11H2,1H3/t12-/m0/s1
InChIKeyVVSAXDKPPFSQDI-LBPRGKRZSA-N
MW335.81 g/mol
LogP3.72
Rot. Bonds3

About (3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone

(3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 97133821) has the molecular formula C17H19ClFN3O and a molecular weight of 335.81 g/mol. Its IUPAC name is (3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID97133821
Molecular FormulaC17H19ClFN3O
Molecular Weight335.81 g/mol
Exact Mass335.12
IUPAC Name(3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCn1ccnc1[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2)C1
InChIInChI=1S/C17H19ClFN3O/c1-2-21-7-5-20-16(21)12-4-3-6-22(11-12)17(23)13-8-14(18)10-15(19)9-13/h5,7-10,12H,2-4,6,11H2,1H3/t12-/m0/s1
InChIKeyVVSAXDKPPFSQDI-LBPRGKRZSA-N
XLogP3.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97154594
(3-fluorophenyl)-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97139604
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97133000
1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 97116494
[3-(1-butylimidazol-2-yl)piperidin-1-yl]-(2-chloro-6-fluoro-3-methylphenyl)methanone
CID 72861491
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-morpholin-4-ylphenyl)methanone
CID 70773218
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 72881956
[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 70782941
4-[3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 72900256
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 70769626
(3-chloro-4-methylphenyl)-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 96577665
2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97273673

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone (CID 97133821) is (3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone is CCn1ccnc1[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2)C1.
What is the InChIKey of (3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is VVSAXDKPPFSQDI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19ClFN3O/c1-2-21-7-5-20-16(21)12-4-3-6-22(11-12)17(23)13-8-14(18)10-15(19)9-13/h5,7-10,12H,2-4,6,11H2,1H3/t12-/m0/s1.
What are the key properties of (3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
(3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 335.81 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-fluorophenyl)-[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97133821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).