N-(5-methylthiophen-2-yl)-3-(piperidine-1-carbonyl)piperidine-1-carboxamide

C17H25N3O2S — CID 75374875

IUPACN-(5-methylthiophen-2-yl)-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC(C(=O)N3CCCCC3)C2)s1
InChIInChI=1S/C17H25N3O2S/c1-13-7-8-15(23-13)18-17(22)20-11-5-6-14(12-20)16(21)19-9-3-2-4-10-19/h7-8,14H,2-6,9-12H2,1H3,(H,18,22)
InChIKeyXIGDUZPHJIXSET-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.31
Rot. Bonds2

About N-(5-methylthiophen-2-yl)-3-(piperidine-1-carbonyl)piperidine-1-carboxamide

N-(5-methylthiophen-2-yl)-3-(piperidine-1-carbonyl)piperidine-1-carboxamide (PubChem CID 75374875) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(5-methylthiophen-2-yl)-3-(piperidine-1-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methylthiophen-2-yl)-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
PubChem CID75374875
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-(5-methylthiophen-2-yl)-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC(C(=O)N3CCCCC3)C2)s1
InChIInChI=1S/C17H25N3O2S/c1-13-7-8-15(23-13)18-17(22)20-11-5-6-14(12-20)16(21)19-9-3-2-4-10-19/h7-8,14H,2-6,9-12H2,1H3,(H,18,22)
InChIKeyXIGDUZPHJIXSET-UHFFFAOYSA-N
XLogP3.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-methylthiophen-2-yl)-3-(piperidine-1-carbonyl)piperidine-1-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

(3R)-3-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 33179413
3-(1-hydroxyethyl)-N-(5-methylthiophen-2-yl)pyrrolidine-1-carboxamide
CID 110019200
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
N-(4-methylphenyl)-3-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 47087366
(3S)-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81126163
(3S)-3-[(2S)-2-methylthiomorpholine-4-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 95145547
1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 62056913
(3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide
CID 95298396
1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 18072986
1-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 122090928
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 55976108
N-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 95561000

Frequently Asked Questions

What is the IUPAC name of N-(5-methylthiophen-2-yl)-3-(piperidine-1-carbonyl)piperidine-1-carboxamide?
The IUPAC name of N-(5-methylthiophen-2-yl)-3-(piperidine-1-carbonyl)piperidine-1-carboxamide (CID 75374875) is N-(5-methylthiophen-2-yl)-3-(piperidine-1-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(5-methylthiophen-2-yl)-3-(piperidine-1-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for N-(5-methylthiophen-2-yl)-3-(piperidine-1-carbonyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCC(C(=O)N3CCCCC3)C2)s1.
What is the InChIKey of N-(5-methylthiophen-2-yl)-3-(piperidine-1-carbonyl)piperidine-1-carboxamide?
The InChIKey is XIGDUZPHJIXSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-13-7-8-15(23-13)18-17(22)20-11-5-6-14(12-20)16(21)19-9-3-2-4-10-19/h7-8,14H,2-6,9-12H2,1H3,(H,18,22).
What are the key properties of N-(5-methylthiophen-2-yl)-3-(piperidine-1-carbonyl)piperidine-1-carboxamide?
N-(5-methylthiophen-2-yl)-3-(piperidine-1-carbonyl)piperidine-1-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylthiophen-2-yl)-3-(piperidine-1-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 75374875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).