N-tert-butyl-4-(thiophen-2-ylmethyl)piperidine-1-carboxamide

C15H24N2OS — CID 84526539

IUPACN-tert-butyl-4-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(Cc2cccs2)CC1
InChIInChI=1S/C15H24N2OS/c1-15(2,3)16-14(18)17-8-6-12(7-9-17)11-13-5-4-10-19-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,16,18)
InChIKeyTWDWXDDSAMFTMV-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.51
Rot. Bonds2

About N-tert-butyl-4-(thiophen-2-ylmethyl)piperidine-1-carboxamide

N-tert-butyl-4-(thiophen-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 84526539) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-tert-butyl-4-(thiophen-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(thiophen-2-ylmethyl)piperidine-1-carboxamide
PubChem CID84526539
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-tert-butyl-4-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(Cc2cccs2)CC1
InChIInChI=1S/C15H24N2OS/c1-15(2,3)16-14(18)17-8-6-12(7-9-17)11-13-5-4-10-19-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,16,18)
InChIKeyTWDWXDDSAMFTMV-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-4-(thiophen-2-ylmethyl)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

1-[2-(Dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea
CID 71887675
1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 94438674
1-Cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 2999174
1-Phenethyl-3-(2-(4-(thiophen-2-yl)piperidin-1-yl)ethyl)urea
CID 71787153
1-[2-(dimethylamino)-3-phenylpropyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 124186392
1-[2-(dimethylamino)-3-phenylpropyl]-3-[(2R)-1-thiophen-3-ylpropan-2-yl]urea
CID 124186750
1-[2-(Dimethylamino)-3-phenylpropyl]-3-(2-methyl-1-thiophen-3-ylpropan-2-yl)urea
CID 124186766
1-[2-(Dimethylamino)-3-phenylpropyl]-3-(2-thiophen-3-ylethyl)urea
CID 124186789
dimethyl-[(2R)-1-phenyl-3-[[(2R)-1-thiophen-3-ylpropan-2-yl]carbamoylamino]propan-2-yl]azanium
CID 141643462
1-(2-Thiophen-2-ylethyl)-3-(2,4,4-trimethylpentan-2-yl)urea
CID 3738612
1-(2-Phenylethyl)-3-(2-thiophen-2-ylethyl)urea
CID 5189501
4-(pyrrolidin-1-ylmethyl)-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 47046097

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(thiophen-2-ylmethyl)piperidine-1-carboxamide (CID 84526539) is N-tert-butyl-4-(thiophen-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(thiophen-2-ylmethyl)piperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(Cc2cccs2)CC1.
What is the InChIKey of N-tert-butyl-4-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is TWDWXDDSAMFTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-15(2,3)16-14(18)17-8-6-12(7-9-17)11-13-5-4-10-19-13/h4-5,10,12H,6-9,11H2,1-3H3,(H,16,18).
What are the key properties of N-tert-butyl-4-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
N-tert-butyl-4-(thiophen-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 280.44 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(thiophen-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 84526539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).