N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide

C15H23N3O2S — CID 110822347

IUPACN-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(NC(=O)Cc2cccs2)CC1
InChIInChI=1S/C15H23N3O2S/c1-11(2)16-15(20)18-7-5-12(6-8-18)17-14(19)10-13-4-3-9-21-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyWXOGVIOFZFMVQU-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.99
Rot. Bonds4

About N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide

N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide (PubChem CID 110822347) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
PubChem CID110822347
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC NameN-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(NC(=O)Cc2cccs2)CC1
InChIInChI=1S/C15H23N3O2S/c1-11(2)16-15(20)18-7-5-12(6-8-18)17-14(19)10-13-4-3-9-21-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,16,20)(H,17,19)
InChIKeyWXOGVIOFZFMVQU-UHFFFAOYSA-N
XLogP1.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822570
4-[(2-phenylacetyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822348
N,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 108561438
N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554283
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554268
N-propan-2-yl-4-(thiophen-2-ylsulfonylamino)piperidine-1-carboxamide
CID 110822400
N-propan-2-yl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185587
4-[[2-(3-chlorophenyl)acetyl]amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822388
N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554270
N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
CID 118877843
N-(1-propan-2-ylpiperidin-4-yl)-3-thiophen-2-ylpropanamide
CID 110751959

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide (CID 110822347) is N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide is CC(C)NC(=O)N1CCC(NC(=O)Cc2cccs2)CC1.
What is the InChIKey of N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide?
The InChIKey is WXOGVIOFZFMVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-11(2)16-15(20)18-7-5-12(6-8-18)17-14(19)10-13-4-3-9-21-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,16,20)(H,17,19).
What are the key properties of N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide?
N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide has a molecular weight of 309.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 110822347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).