tert-butyl N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate

C15H24N2O2S — CID 46785877

IUPACtert-butyl N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)19-14(18)16-12-6-4-8-17(10-12)11-13-7-5-9-20-13/h5,7,9,12H,4,6,8,10-11H2,1-3H3,(H,16,18)
InChIKeyQNWSHQFEYPPQBN-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.24
Rot. Bonds3

About tert-butyl N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate

tert-butyl N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate (PubChem CID 46785877) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is tert-butyl N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate
PubChem CID46785877
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nametert-butyl N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)19-14(18)16-12-6-4-8-17(10-12)11-13-7-5-9-20-13/h5,7,9,12H,4,6,8,10-11H2,1-3H3,(H,16,18)
InChIKeyQNWSHQFEYPPQBN-UHFFFAOYSA-N
XLogP3.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-{2-[(2-thienylcarbonyl)amino]ethyl}carbamate
CID 2796306
Thiophen-2-ylmethyl-carbamic acid tert-butyl ester
CID 4935536
(2S)-2-amino-1-piperidin-1-yl-4-(thiophen-2-ylmethylamino)butan-1-one
CID 11312069
Ethyl 3-(thiophen-2-yl)piperazine-1-carboxylate
CID 2771741
Ethyl 4-(2-thienylmethyl)-1-piperazinecarboxylate
CID 783744
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 6603216
2-methyl-N-(1-methyl-2-morpholin-4-yl-2-thien-2-ylethyl)propanamide
CID 3235708
4-{2-[(Thiophene-2-carbonyl)-amino]-ethylamino}-piperidine-1-carboxylic acid ethyl ester
CID 647412
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-3-methylbutanamide
CID 3237871
2-methyl-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]propanamide
CID 3243425
N-[1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl]-2-methylpropanamide
CID 4654599
Piperazinium, 4-carboxy-1-methyl-1-(2-thenyl)-, chloride, ethyl ester
CID 3065860

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate (CID 46785877) is tert-butyl N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCCN(Cc2cccs2)C1.
What is the InChIKey of tert-butyl N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate?
The InChIKey is QNWSHQFEYPPQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-15(2,3)19-14(18)16-12-6-4-8-17(10-12)11-13-7-5-9-20-13/h5,7,9,12H,4,6,8,10-11H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate?
tert-butyl N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate has a molecular weight of 296.44 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 46785877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).