N-[1-[1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide

C23H33N3O2S — CID 47550076

IUPACN-[1-[1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide
SMILESCC(C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(NC(=O)c2ccsc2)CC1
InChIInChI=1S/C23H33N3O2S/c1-15(21(27)25-23-11-16-8-17(12-23)10-18(9-16)13-23)26-5-2-20(3-6-26)24-22(28)19-4-7-29-14-19/h4,7,14-18,20H,2-3,5-6,8-13H2,1H3,(H,24,28)(H,25,27)
InChIKeyUBCLOPUSPMPKIH-UHFFFAOYSA-N
MW415.60 g/mol
LogP3.42
Rot. Bonds5

About N-[1-[1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide

N-[1-[1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 47550076) has the molecular formula C23H33N3O2S and a molecular weight of 415.60 g/mol. Its IUPAC name is N-[1-[1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide
PubChem CID47550076
Molecular FormulaC23H33N3O2S
Molecular Weight415.60 g/mol
Exact Mass415.23
IUPAC NameN-[1-[1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide
SMILESCC(C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(NC(=O)c2ccsc2)CC1
InChIInChI=1S/C23H33N3O2S/c1-15(21(27)25-23-11-16-8-17(12-23)10-18(9-16)13-23)26-5-2-20(3-6-26)24-22(28)19-4-7-29-14-19/h4,7,14-18,20H,2-3,5-6,8-13H2,1H3,(H,24,28)(H,25,27)
InChIKeyUBCLOPUSPMPKIH-UHFFFAOYSA-N
XLogP3.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.60
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(N-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide
CID 47708434
N-(1-adamantylcarbamoyl)-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]propanamide
CID 55852279
(2S)-2-[4-[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51928773
N-[1-(2-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 111106047
(2S)-2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-N-(1-adamantyl)propanamide
CID 38629004
N-(1-adamantyl)-2-[3-(methylamino)piperidin-1-yl]propanamide
CID 119919985
N-[1-(4-hydroxybutyl)piperidin-4-yl]thiophene-3-carboxamide
CID 110931733
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578146
N-(azetidin-3-yl)thiophene-3-carboxamide
CID 66187231
N-[1-[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 51289715
N-[1-[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 51289685
N-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]thiophene-3-carboxamide
CID 119752043

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of N-[1-[1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide (CID 47550076) is N-[1-[1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-[1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-[1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide is CC(C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(NC(=O)c2ccsc2)CC1.
What is the InChIKey of N-[1-[1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is UBCLOPUSPMPKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2S/c1-15(21(27)25-23-11-16-8-17(12-23)10-18(9-16)13-23)26-5-2-20(3-6-26)24-22(28)19-4-7-29-14-19/h4,7,14-18,20H,2-3,5-6,8-13H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[1-[1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide?
N-[1-[1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 415.60 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1-adamantylamino)-1-oxopropan-2-yl]piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 47550076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).