N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide

C22H32N2OS — CID 17014187

IUPACN-(2-piperidin-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H32N2OS/c25-21(22-12-16-9-17(13-22)11-18(10-16)14-22)23-15-19(20-5-4-8-26-20)24-6-2-1-3-7-24/h4-5,8,16-19H,1-3,6-7,9-15H2,(H,23,25)
InChIKeyNFHNOBOWPGKEFF-UHFFFAOYSA-N
MW372.58 g/mol
LogP4.61
Rot. Bonds5

About N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide

N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide (PubChem CID 17014187) has the molecular formula C22H32N2OS and a molecular weight of 372.58 g/mol. Its IUPAC name is N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide
PubChem CID17014187
Molecular FormulaC22H32N2OS
Molecular Weight372.58 g/mol
Exact Mass372.22
IUPAC NameN-(2-piperidin-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H32N2OS/c25-21(22-12-16-9-17(13-22)11-18(10-16)14-22)23-15-19(20-5-4-8-26-20)24-6-2-1-3-7-24/h4-5,8,16-19H,1-3,6-7,9-15H2,(H,23,25)
InChIKeyNFHNOBOWPGKEFF-UHFFFAOYSA-N
XLogP4.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]adamantane-1-carboxamide
CID 17012416
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]adamantane-1-carboxamide
CID 4880413
N-[2-[[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 38705329
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide
CID 122265113
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]adamantane-1-carboxamide
CID 35126632
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
CID 40752691
N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
CID 43842812
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide
CID 4807610
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]adamantane-1-carboxamide
CID 7496559
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride
CID 52984652
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide?
The IUPAC name of N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide (CID 17014187) is N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide is O=C(NCC(c1cccs1)N1CCCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide?
The InChIKey is NFHNOBOWPGKEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2OS/c25-21(22-12-16-9-17(13-22)11-18(10-16)14-22)23-15-19(20-5-4-8-26-20)24-6-2-1-3-7-24/h4-5,8,16-19H,1-3,6-7,9-15H2,(H,23,25).
What are the key properties of N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide?
N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide has a molecular weight of 372.58 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)adamantane-1-carboxamide is sourced from PubChem (CID 17014187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).