N-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide

C16H25N3O2S — CID 165431469

IUPACN-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(Cc2cncs2)CC1)NC1CCOCC1
InChIInChI=1S/C16H25N3O2S/c20-16(18-14-3-7-21-8-4-14)9-13-1-5-19(6-2-13)11-15-10-17-12-22-15/h10,12-14H,1-9,11H2,(H,18,20)
InChIKeyDDILEXDVYHQAER-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.04
Rot. Bonds5

About N-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide

N-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide (PubChem CID 165431469) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide
PubChem CID165431469
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(Cc2cncs2)CC1)NC1CCOCC1
InChIInChI=1S/C16H25N3O2S/c20-16(18-14-3-7-21-8-4-14)9-13-1-5-19(6-2-13)11-15-10-17-12-22-15/h10,12-14H,1-9,11H2,(H,18,20)
InChIKeyDDILEXDVYHQAER-UHFFFAOYSA-N
XLogP2.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431902
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431669
2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431381
N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 165431842
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 112640915
4-tert-butyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]benzamide
CID 166339786
N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]cyclopropanesulfonamide
CID 163344051
N,2,2-trimethyl-N-[[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]methyl]propanamide
CID 171700798
4-fluoro-N-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]benzamide
CID 166339791
oxolan-3-yl-[4-(1,3-thiazol-5-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 137338980
1-(1,3-thiazol-5-ylmethyl)azepan-4-ol
CID 126987254
5-[[3-(bromomethyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 112644427

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide (CID 165431469) is N-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide is O=C(CC1CCN(Cc2cncs2)CC1)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide?
The InChIKey is DDILEXDVYHQAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c20-16(18-14-3-7-21-8-4-14)9-13-1-5-19(6-2-13)11-15-10-17-12-22-15/h10,12-14H,1-9,11H2,(H,18,20).
What are the key properties of N-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide?
N-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide has a molecular weight of 323.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 165431469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).