(4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone

C16H18N2O2S — CID 70762006

IUPAC(4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C16H18N2O2S/c19-16(15-11-21-12-17-15)18-8-6-14(7-9-18)20-10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2
InChIKeyREGHXQGTLORDBQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.96
Rot. Bonds4

About (4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone

(4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 70762006) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID70762006
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C16H18N2O2S/c19-16(15-11-21-12-17-15)18-8-6-14(7-9-18)20-10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2
InChIKeyREGHXQGTLORDBQ-UHFFFAOYSA-N
XLogP2.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylsulfonylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 121022772
(6R)-1-cyclohexyl-6-phenylmethoxy-4-(1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one
CID 26219889
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 119105527
(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 119697040
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
3-phenyl-1-[5-(1,3-thiazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propan-1-one
CID 131646389
(4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 47044991
(4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 25373504
[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 90649817
(2,3-dichlorophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 55460870
[4-(aminomethyl)phenyl]-(4-phenylmethoxypiperidin-1-yl)methanone;hydrochloride
CID 119275315
2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 120660781

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone (CID 70762006) is (4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of (4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is REGHXQGTLORDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-16(15-11-21-12-17-15)18-8-6-14(7-9-18)20-10-13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2.
What are the key properties of (4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone?
(4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 302.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 70762006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).