[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone

C26H29N3O2S — CID 45231856

IUPAC[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)C1CCCN(Cc2cnc(N3CCOCC3)s2)C1
InChIInChI=1S/C26H29N3O2S/c30-25(22-10-8-21(9-11-22)20-5-2-1-3-6-20)23-7-4-12-28(18-23)19-24-17-27-26(32-24)29-13-15-31-16-14-29/h1-3,5-6,8-11,17,23H,4,7,12-16,18-19H2
InChIKeyKWXVKRSKHSCSMZ-UHFFFAOYSA-N
MW447.60 g/mol
LogP4.74
Rot. Bonds6

About [1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone

[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone (PubChem CID 45231856) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is [1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone
PubChem CID45231856
Molecular FormulaC26H29N3O2S
Molecular Weight447.60 g/mol
Exact Mass447.20
IUPAC Name[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)C1CCCN(Cc2cnc(N3CCOCC3)s2)C1
InChIInChI=1S/C26H29N3O2S/c30-25(22-10-8-21(9-11-22)20-5-2-1-3-6-20)23-7-4-12-28(18-23)19-24-17-27-26(32-24)29-13-15-31-16-14-29/h1-3,5-6,8-11,17,23H,4,7,12-16,18-19H2
InChIKeyKWXVKRSKHSCSMZ-UHFFFAOYSA-N
XLogP4.74
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
CID 45178461
N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 45173449
(4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 95130724
N-cyclopropyl-3-[(3R)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 26318359
(3S,4R)-4-phenyl-1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 162625989
(3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 155496457
[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone
CID 56917412
N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45177344
morpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone
CID 78836439
[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25268867
(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone
CID 142430235
2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid
CID 82374896

Frequently Asked Questions

What is the IUPAC name of [1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone (CID 45231856) is [1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)C1CCCN(Cc2cnc(N3CCOCC3)s2)C1.
What is the InChIKey of [1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone?
The InChIKey is KWXVKRSKHSCSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2S/c30-25(22-10-8-21(9-11-22)20-5-2-1-3-6-20)23-7-4-12-28(18-23)19-24-17-27-26(32-24)29-13-15-31-16-14-29/h1-3,5-6,8-11,17,23H,4,7,12-16,18-19H2.
What are the key properties of [1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone?
[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone has a molecular weight of 447.60 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 45231856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).