1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide

C23H32N2O2S — CID 68596245

IUPAC1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)c1cccs1
InChIInChI=1S/C23H32N2O2S/c1-15(20-3-2-8-28-20)24-21(26)19-4-6-25(7-5-19)22(27)23-12-16-9-17(13-23)11-18(10-16)14-23/h2-3,8,15-19H,4-7,9-14H2,1H3,(H,24,26)
InChIKeySGRWWJWZYFKPDD-UHFFFAOYSA-N
MW400.59 g/mol
LogP4.38
Rot. Bonds4

About 1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide

1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 68596245) has the molecular formula C23H32N2O2S and a molecular weight of 400.59 g/mol. Its IUPAC name is 1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID68596245
Molecular FormulaC23H32N2O2S
Molecular Weight400.59 g/mol
Exact Mass400.22
IUPAC Name1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)c1cccs1
InChIInChI=1S/C23H32N2O2S/c1-15(20-3-2-8-28-20)24-21(26)19-4-6-25(7-5-19)22(27)23-12-16-9-17(13-23)11-18(10-16)14-23/h2-3,8,15-19H,4-7,9-14H2,1H3,(H,24,26)
InChIKeySGRWWJWZYFKPDD-UHFFFAOYSA-N
XLogP4.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide
CID 30971824
4-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 81408620
cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091689
2-(1-adamantylsulfanyl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8513527
N-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxamide
CID 81407911
4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 115583183
N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092
1-(4,7-dimethylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-4-carboxamide
CID 42274559
(3S)-1-(4-chlorobenzoyl)-N-[(1R)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 31109673
4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26462883
(3R)-6-oxo-N-[(1S)-1-thiophen-2-ylethyl]piperidine-3-carboxamide
CID 94154276
1-[2-[[(1S)-1-thiophen-2-ylethyl]amino]acetyl]piperidine-4-carboxylic acid
CID 103257817

Frequently Asked Questions

What is the IUPAC name of 1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 68596245) is 1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1)c1cccs1.
What is the InChIKey of 1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is SGRWWJWZYFKPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2S/c1-15(20-3-2-8-28-20)24-21(26)19-4-6-25(7-5-19)22(27)23-12-16-9-17(13-23)11-18(10-16)14-23/h2-3,8,15-19H,4-7,9-14H2,1H3,(H,24,26).
What are the key properties of 1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 400.59 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(adamantane-1-carbonyl)-N-(1-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 68596245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).