tert-butyl 4-[(4-carbamoylthiophen-2-yl)methylamino]piperidine-1-carboxylate

C16H25N3O3S — CID 103801907

IUPACtert-butyl 4-[(4-carbamoylthiophen-2-yl)methylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCc2cc(C(N)=O)cs2)CC1
InChIInChI=1S/C16H25N3O3S/c1-16(2,3)22-15(21)19-6-4-12(5-7-19)18-9-13-8-11(10-23-13)14(17)20/h8,10,12,18H,4-7,9H2,1-3H3,(H2,17,20)
InChIKeyFLQDSHVXHQETFF-UHFFFAOYSA-N
MW339.46 g/mol
LogP2.34
Rot. Bonds4

About tert-butyl 4-[(4-carbamoylthiophen-2-yl)methylamino]piperidine-1-carboxylate

tert-butyl 4-[(4-carbamoylthiophen-2-yl)methylamino]piperidine-1-carboxylate (PubChem CID 103801907) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is tert-butyl 4-[(4-carbamoylthiophen-2-yl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-carbamoylthiophen-2-yl)methylamino]piperidine-1-carboxylate
PubChem CID103801907
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Nametert-butyl 4-[(4-carbamoylthiophen-2-yl)methylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCc2cc(C(N)=O)cs2)CC1
InChIInChI=1S/C16H25N3O3S/c1-16(2,3)22-15(21)19-6-4-12(5-7-19)18-9-13-8-11(10-23-13)14(17)20/h8,10,12,18H,4-7,9H2,1-3H3,(H2,17,20)
InChIKeyFLQDSHVXHQETFF-UHFFFAOYSA-N
XLogP2.34
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]amino]methyl]thiophene-3-carboxylic acid
CID 107239346
5-[[(1-ethylpiperidin-4-yl)amino]methyl]thiophene-3-carboxamide
CID 79614458
tert-butyl 4-(thiophen-2-ylmethylamino)piperidine-1-carboxylate
CID 43652164
5-[[(4-aminocyclohexyl)amino]methyl]thiophene-3-carboxamide
CID 79613369
tert-butyl 4-[(4-bromo-5-methylthiophen-2-yl)methylamino]piperidine-1-carboxylate
CID 107241646
tert-butyl 4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]piperidine-1-carboxylate
CID 103527151
tert-butyl N-[2-[(4-carbamoylthiophen-2-yl)methylamino]cyclopropyl]carbamate
CID 107237714
tert-butyl 4-[[5-(hydroxymethyl)furan-2-yl]methylamino]piperidine-1-carboxylate
CID 103699049
tert-butyl 4-[(3-methylthiophen-2-yl)methylamino]azepane-1-carboxylate
CID 103982485
tert-butyl 4-[(4-bromo-5-chlorothiophen-2-yl)methylamino]azepane-1-carboxylate
CID 107255053
tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
CID 67272176
1-[4-[(4-bromothiophen-2-yl)methylamino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 43747754

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-carbamoylthiophen-2-yl)methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-carbamoylthiophen-2-yl)methylamino]piperidine-1-carboxylate (CID 103801907) is tert-butyl 4-[(4-carbamoylthiophen-2-yl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-carbamoylthiophen-2-yl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-carbamoylthiophen-2-yl)methylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCc2cc(C(N)=O)cs2)CC1.
What is the InChIKey of tert-butyl 4-[(4-carbamoylthiophen-2-yl)methylamino]piperidine-1-carboxylate?
The InChIKey is FLQDSHVXHQETFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-16(2,3)22-15(21)19-6-4-12(5-7-19)18-9-13-8-11(10-23-13)14(17)20/h8,10,12,18H,4-7,9H2,1-3H3,(H2,17,20).
What are the key properties of tert-butyl 4-[(4-carbamoylthiophen-2-yl)methylamino]piperidine-1-carboxylate?
tert-butyl 4-[(4-carbamoylthiophen-2-yl)methylamino]piperidine-1-carboxylate has a molecular weight of 339.46 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-carbamoylthiophen-2-yl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 103801907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).