ethyl 4-(1-thiophen-2-ylpropan-2-ylamino)piperidine-1-carboxylate

C15H24N2O2S — CID 43783023

IUPACethyl 4-(1-thiophen-2-ylpropan-2-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(C)Cc2cccs2)CC1
InChIInChI=1S/C15H24N2O2S/c1-3-19-15(18)17-8-6-13(7-9-17)16-12(2)11-14-5-4-10-20-14/h4-5,10,12-13,16H,3,6-9,11H2,1-2H3
InChIKeyWNVPKUSDNIFHSN-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.89
Rot. Bonds5

About ethyl 4-(1-thiophen-2-ylpropan-2-ylamino)piperidine-1-carboxylate

ethyl 4-(1-thiophen-2-ylpropan-2-ylamino)piperidine-1-carboxylate (PubChem CID 43783023) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is ethyl 4-(1-thiophen-2-ylpropan-2-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-thiophen-2-ylpropan-2-ylamino)piperidine-1-carboxylate
PubChem CID43783023
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nameethyl 4-(1-thiophen-2-ylpropan-2-ylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(C)Cc2cccs2)CC1
InChIInChI=1S/C15H24N2O2S/c1-3-19-15(18)17-8-6-13(7-9-17)16-12(2)11-14-5-4-10-20-14/h4-5,10,12-13,16H,3,6-9,11H2,1-2H3
InChIKeyWNVPKUSDNIFHSN-UHFFFAOYSA-N
XLogP2.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[N'-(2-methyl-3-thiophen-2-ylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111820078
N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604
ethyl 4-[[N-ethyl-N'-(2-methyl-3-thiophen-2-ylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111516205
ethyl 4-[[N'-(thiophen-2-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111026488
4-(1-thiophen-2-ylpropan-2-ylamino)cyclohexan-1-ol
CID 103904586
ethyl 4-[(2-amino-2-thiophen-2-ylacetyl)amino]piperidine-1-carboxylate
CID 115285967
ethyl 4-[[N'-methyl-N-(thiophen-2-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111327230
4-propyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
CID 43432822
1,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 81302365
ethyl 4-oxo-4-[[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]amino]butanoate
CID 108565657
ethyl 4-[acetyl-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]amino]piperidine-1-carboxylate
CID 113056379
4-methyl-N-(1-thiophen-2-ylpropan-2-yl)cycloheptan-1-amine
CID 65081242

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-thiophen-2-ylpropan-2-ylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(1-thiophen-2-ylpropan-2-ylamino)piperidine-1-carboxylate (CID 43783023) is ethyl 4-(1-thiophen-2-ylpropan-2-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-thiophen-2-ylpropan-2-ylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-thiophen-2-ylpropan-2-ylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(C)Cc2cccs2)CC1.
What is the InChIKey of ethyl 4-(1-thiophen-2-ylpropan-2-ylamino)piperidine-1-carboxylate?
The InChIKey is WNVPKUSDNIFHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-19-15(18)17-8-6-13(7-9-17)16-12(2)11-14-5-4-10-20-14/h4-5,10,12-13,16H,3,6-9,11H2,1-2H3.
What are the key properties of ethyl 4-(1-thiophen-2-ylpropan-2-ylamino)piperidine-1-carboxylate?
ethyl 4-(1-thiophen-2-ylpropan-2-ylamino)piperidine-1-carboxylate has a molecular weight of 296.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-thiophen-2-ylpropan-2-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 43783023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).