(4-chlorophenyl)-[4-[[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]piperidin-1-yl]methanone

C23H25ClN2O2 — CID 19372732

IUPAC(4-chlorophenyl)-[4-[[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]piperidin-1-yl]methanone
SMILESCC1CN=C(c2ccc(CC3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)O1
InChIInChI=1S/C23H25ClN2O2/c1-16-15-25-22(28-16)19-4-2-17(3-5-19)14-18-10-12-26(13-11-18)23(27)20-6-8-21(24)9-7-20/h2-9,16,18H,10-15H2,1H3
InChIKeyIEJSZZDGLVWNCE-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.60
Rot. Bonds4

About (4-chlorophenyl)-[4-[[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]piperidin-1-yl]methanone

(4-chlorophenyl)-[4-[[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]piperidin-1-yl]methanone (PubChem CID 19372732) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]piperidin-1-yl]methanone
PubChem CID19372732
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name(4-chlorophenyl)-[4-[[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]piperidin-1-yl]methanone
SMILESCC1CN=C(c2ccc(CC3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)O1
InChIInChI=1S/C23H25ClN2O2/c1-16-15-25-22(28-16)19-4-2-17(3-5-19)14-18-10-12-26(13-11-18)23(27)20-6-8-21(24)9-7-20/h2-9,16,18H,10-15H2,1H3
InChIKeyIEJSZZDGLVWNCE-UHFFFAOYSA-N
XLogP4.60
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(dimethylamino)methyl]phenyl]-[4-(pyridin-4-ylmethyl)piperidin-1-yl]methanone
CID 110102879
1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 142714451
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879762
(4-benzylpiperidin-1-yl)-[3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazol-4-yl]methanone
CID 100632464
(4-chlorophenyl)-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150807
[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethylphenyl)methanone
CID 4668115
3-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 11596612
[4-(4-chlorophenyl)phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 126426652
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
(4-benzylpiperidin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 78791820
(4-benzylpiperidin-1-yl)-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 99289952

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]piperidin-1-yl]methanone (CID 19372732) is (4-chlorophenyl)-[4-[[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]piperidin-1-yl]methanone is CC1CN=C(c2ccc(CC3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)O1.
What is the InChIKey of (4-chlorophenyl)-[4-[[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]piperidin-1-yl]methanone?
The InChIKey is IEJSZZDGLVWNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c1-16-15-25-22(28-16)19-4-2-17(3-5-19)14-18-10-12-26(13-11-18)23(27)20-6-8-21(24)9-7-20/h2-9,16,18H,10-15H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-[[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]piperidin-1-yl]methanone?
(4-chlorophenyl)-[4-[[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]piperidin-1-yl]methanone has a molecular weight of 396.92 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[[4-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 19372732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).