[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethyl-1,4-dihydroquinoxalin-6-yl)methanone

C22H24ClN3O2 — CID 91901458

IUPAC[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethyl-1,4-dihydroquinoxalin-6-yl)methanone
SMILESCC1=C(C)Nc2cc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)ccc2N1
InChIInChI=1S/C22H24ClN3O2/c1-14-15(2)25-20-13-16(3-8-19(20)24-14)21(27)26-11-9-22(28,10-12-26)17-4-6-18(23)7-5-17/h3-8,13,24-25,28H,9-12H2,1-2H3
InChIKeyDLCFQNRDKUTWCH-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.55
Rot. Bonds2

About [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethyl-1,4-dihydroquinoxalin-6-yl)methanone

[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethyl-1,4-dihydroquinoxalin-6-yl)methanone (PubChem CID 91901458) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethyl-1,4-dihydroquinoxalin-6-yl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethyl-1,4-dihydroquinoxalin-6-yl)methanone
PubChem CID91901458
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethyl-1,4-dihydroquinoxalin-6-yl)methanone
SMILESCC1=C(C)Nc2cc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)ccc2N1
InChIInChI=1S/C22H24ClN3O2/c1-14-15(2)25-20-13-16(3-8-19(20)24-14)21(27)26-11-9-22(28,10-12-26)17-4-6-18(23)7-5-17/h3-8,13,24-25,28H,9-12H2,1-2H3
InChIKeyDLCFQNRDKUTWCH-UHFFFAOYSA-N
XLogP4.55
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethyl-1,4-dihydroquinoxalin-6-yl)methanone with MolForge

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Related Compounds

[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 71704467
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 71706126
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 71708955
(2-aminophenyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 851820
(6-azido-3-pyridinyl)-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]methanone
CID 78154827
6-azaspiro[2.5]octan-6-yl-(4-chlorophenyl)methanone
CID 97374342
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 2815864
6-chloro-3-[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]-1H-quinolin-4-one
CID 91639767
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[2-(5-methyltetrazol-1-yl)phenyl]methanone
CID 56762110
(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707064
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone
CID 166282515
1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251452

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethyl-1,4-dihydroquinoxalin-6-yl)methanone?
The IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethyl-1,4-dihydroquinoxalin-6-yl)methanone (CID 91901458) is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethyl-1,4-dihydroquinoxalin-6-yl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethyl-1,4-dihydroquinoxalin-6-yl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethyl-1,4-dihydroquinoxalin-6-yl)methanone is CC1=C(C)Nc2cc(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)ccc2N1.
What is the InChIKey of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethyl-1,4-dihydroquinoxalin-6-yl)methanone?
The InChIKey is DLCFQNRDKUTWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-14-15(2)25-20-13-16(3-8-19(20)24-14)21(27)26-11-9-22(28,10-12-26)17-4-6-18(23)7-5-17/h3-8,13,24-25,28H,9-12H2,1-2H3.
What are the key properties of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethyl-1,4-dihydroquinoxalin-6-yl)methanone?
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethyl-1,4-dihydroquinoxalin-6-yl)methanone has a molecular weight of 397.91 g/mol, XLogP of 4.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethyl-1,4-dihydroquinoxalin-6-yl)methanone is sourced from PubChem (CID 91901458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).