4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide

C23H23N3O2S — CID 165420028

IUPAC4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide
SMILESCc1nc(C2(c3ccccc3)CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)cs1
InChIInChI=1S/C23H23N3O2S/c1-16-25-20(15-29-16)23(19-5-3-2-4-6-19)11-13-26(14-12-23)22(28)18-9-7-17(8-10-18)21(24)27/h2-10,15H,11-14H2,1H3,(H2,24,27)
InChIKeyBFFQZXDKPRCROL-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.77
Rot. Bonds4

About 4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide

4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide (PubChem CID 165420028) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide
PubChem CID165420028
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide
SMILESCc1nc(C2(c3ccccc3)CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)cs1
InChIInChI=1S/C23H23N3O2S/c1-16-25-20(15-29-16)23(19-5-3-2-4-6-19)11-13-26(14-12-23)22(28)18-9-7-17(8-10-18)21(24)27/h2-10,15H,11-14H2,1H3,(H2,24,27)
InChIKeyBFFQZXDKPRCROL-UHFFFAOYSA-N
XLogP3.77
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzonitrile
CID 165421639
[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 164691667
2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 165418820
[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-8-yl)methanone
CID 165419233
[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(oxan-4-yl)methanone
CID 165424336
(2S)-2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 165425692
3-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 165426020
1-[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 165419363
(4S)-4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 165421830
(2S)-2,6-diamino-1-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]hexan-1-one;dihydrochloride
CID 166600286
[(1S,3S,4S)-4-amino-3-hydroxycyclohexyl]-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]methanone;hydrochloride
CID 166600011
2-methyl-5-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-1,3,4-thiadiazole
CID 164692403

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide?
The IUPAC name of 4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide (CID 165420028) is 4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide.
What is the SMILES notation for 4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide?
The canonical SMILES for 4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide is Cc1nc(C2(c3ccccc3)CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)cs1.
What is the InChIKey of 4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide?
The InChIKey is BFFQZXDKPRCROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-16-25-20(15-29-16)23(19-5-3-2-4-6-19)11-13-26(14-12-23)22(28)18-9-7-17(8-10-18)21(24)27/h2-10,15H,11-14H2,1H3,(H2,24,27).
What are the key properties of 4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide?
4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide has a molecular weight of 405.52 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidine-1-carbonyl]benzamide is sourced from PubChem (CID 165420028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).