N-[3-oxo-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide

C22H31N3O2S — CID 86890801

IUPACN-[3-oxo-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide
SMILESO=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCCCC1c1nccs1
InChIInChI=1S/C22H31N3O2S/c26-19(25-7-2-1-3-18(25)20-23-6-8-28-20)4-5-24-21(27)22-12-15-9-16(13-22)11-17(10-15)14-22/h6,8,15-18H,1-5,7,9-14H2,(H,24,27)
InChIKeyFJAVRPUCPWZBAJ-UHFFFAOYSA-N
MW401.58 g/mol
LogP3.92
Rot. Bonds5

About N-[3-oxo-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide

N-[3-oxo-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide (PubChem CID 86890801) has the molecular formula C22H31N3O2S and a molecular weight of 401.58 g/mol. Its IUPAC name is N-[3-oxo-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide
PubChem CID86890801
Molecular FormulaC22H31N3O2S
Molecular Weight401.58 g/mol
Exact Mass401.21
IUPAC NameN-[3-oxo-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide
SMILESO=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCCCC1c1nccs1
InChIInChI=1S/C22H31N3O2S/c26-19(25-7-2-1-3-18(25)20-23-6-8-28-20)4-5-24-21(27)22-12-15-9-16(13-22)11-17(10-15)14-22/h6,8,15-18H,1-5,7,9-14H2,(H,24,27)
InChIKeyFJAVRPUCPWZBAJ-UHFFFAOYSA-N
XLogP3.92
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
3-[(2R)-oxolan-2-yl]-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761192
4-piperidin-1-yl-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 97194601
2-(1-propan-2-ylpiperidin-4-yl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97200306
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95761217
3-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761205
3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95770205
3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 72915818
2-(4-pyrimidin-2-ylpiperazin-1-yl)-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 97191446
(2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 125143068
N-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]adamantane-1-carboxamide
CID 18097569

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-oxo-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide (CID 86890801) is N-[3-oxo-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-oxo-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide is O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCCCC1c1nccs1.
What is the InChIKey of N-[3-oxo-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide?
The InChIKey is FJAVRPUCPWZBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2S/c26-19(25-7-2-1-3-18(25)20-23-6-8-28-20)4-5-24-21(27)22-12-15-9-16(13-22)11-17(10-15)14-22/h6,8,15-18H,1-5,7,9-14H2,(H,24,27).
What are the key properties of N-[3-oxo-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide?
N-[3-oxo-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide has a molecular weight of 401.58 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[2-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]adamantane-1-carboxamide is sourced from PubChem (CID 86890801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).