(2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone

C16H18ClN3O — CID 124949617

IUPAC(2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc([C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)[nH]1
InChIInChI=1S/C16H18ClN3O/c1-11-9-18-15(19-11)12-5-4-8-20(10-12)16(21)13-6-2-3-7-14(13)17/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyCVLTZIJRYCZELY-GFCCVEGCSA-N
MW303.79 g/mol
LogP3.39
Rot. Bonds2

About (2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone

(2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 124949617) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is (2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
PubChem CID124949617
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name(2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc([C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)[nH]1
InChIInChI=1S/C16H18ClN3O/c1-11-9-18-15(19-11)12-5-4-8-20(10-12)16(21)13-6-2-3-7-14(13)17/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyCVLTZIJRYCZELY-GFCCVEGCSA-N
XLogP3.39
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 124994289
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124970480
[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 124942397
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 124967286
1-[4-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110104108
[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125012156
(3,5-difluorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125011983
6-methyl-3-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124992825
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125012155
3-[3-(5-methyl-1H-imidazol-2-yl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 110104163
2-(2-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 110103994
[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 110104147

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone (CID 124949617) is (2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone is Cc1cnc([C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)[nH]1.
What is the InChIKey of (2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is CVLTZIJRYCZELY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-9-18-15(19-11)12-5-4-8-20(10-12)16(21)13-6-2-3-7-14(13)17/h2-3,6-7,9,12H,4-5,8,10H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
(2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 303.79 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124949617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).