1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

C23H24N4O3S — CID 55966662

IUPAC1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C23H24N4O3S/c28-20(13-15-30-19-11-5-2-6-12-19)27-14-7-10-18(16-27)21(29)24-23-26-25-22(31-23)17-8-3-1-4-9-17/h1-6,8-9,11-12,18H,7,10,13-16H2,(H,24,26,29)
InChIKeyLHBXDNLHKJZXFE-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.85
Rot. Bonds7

About 1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (PubChem CID 55966662) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is 1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
PubChem CID55966662
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC Name1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C23H24N4O3S/c28-20(13-15-30-19-11-5-2-6-12-19)27-14-7-10-18(16-27)21(29)24-23-26-25-22(31-23)17-8-3-1-4-9-17/h1-6,8-9,11-12,18H,7,10,13-16H2,(H,24,26,29)
InChIKeyLHBXDNLHKJZXFE-UHFFFAOYSA-N
XLogP3.85
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55993442
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
CID 60562229
1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55966129
N-(2-benzyl-5-methylpyrazol-3-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553281
N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553985
cis-(1S,3R)-3-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674902
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55968781
N-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553205
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
(3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 52504687

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide (CID 55966662) is 1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nnc(-c2ccccc2)s1)C1CCCN(C(=O)CCOc2ccccc2)C1.
What is the InChIKey of 1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is LHBXDNLHKJZXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c28-20(13-15-30-19-11-5-2-6-12-19)27-14-7-10-18(16-27)21(29)24-23-26-25-22(31-23)17-8-3-1-4-9-17/h1-6,8-9,11-12,18H,7,10,13-16H2,(H,24,26,29).
What are the key properties of 1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide?
1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropanoyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55966662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).