N-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C21H28N2O2S — CID 78843061

IUPACN-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C21H28N2O2S/c24-20(22-19-15-9-13-8-14(11-15)12-16(19)10-13)17-4-1-2-6-23(17)21(25)18-5-3-7-26-18/h3,5,7,13-17,19H,1-2,4,6,8-12H2,(H,22,24)
InChIKeyJQZVJFLCOGQPEV-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.68
Rot. Bonds3

About N-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 78843061) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID78843061
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C21H28N2O2S/c24-20(22-19-15-9-13-8-14(11-15)12-16(19)10-13)17-4-1-2-6-23(17)21(25)18-5-3-7-26-18/h3,5,7,13-17,19H,1-2,4,6,8-12H2,(H,22,24)
InChIKeyJQZVJFLCOGQPEV-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxycyclohexyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844706
N-piperidin-4-yl-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119386471
(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 92954382
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
N-(4-acetamidophenyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 18225954
(2R)-N-(1-adamantylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 8927607
2-[[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]amino]propanoic acid
CID 119348963
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
(2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 32953422
(2R)-N-[[(2R)-thiolan-2-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 124573724
(2R)-N-methylsulfonyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 94188023

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 78843061) is N-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)C1CCCCN1C(=O)c1cccs1.
What is the InChIKey of N-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is JQZVJFLCOGQPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c24-20(22-19-15-9-13-8-14(11-15)12-16(19)10-13)17-4-1-2-6-23(17)21(25)18-5-3-7-26-18/h3,5,7,13-17,19H,1-2,4,6,8-12H2,(H,22,24).
What are the key properties of N-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 372.53 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 78843061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).