tert-butyl N-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]carbamate

C18H28N2O3S — CID 47038352

IUPACtert-butyl N-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)CCCc2cccs2)CC1
InChIInChI=1S/C18H28N2O3S/c1-18(2,3)23-17(22)19-14-9-11-20(12-10-14)16(21)8-4-6-15-7-5-13-24-15/h5,7,13-14H,4,6,8-12H2,1-3H3,(H,19,22)
InChIKeyXPBVDORDHAACJK-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.59
Rot. Bonds5

About tert-butyl N-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]carbamate (PubChem CID 47038352) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is tert-butyl N-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]carbamate
PubChem CID47038352
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Nametert-butyl N-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)CCCc2cccs2)CC1
InChIInChI=1S/C18H28N2O3S/c1-18(2,3)23-17(22)19-14-9-11-20(12-10-14)16(21)8-4-6-15-7-5-13-24-15/h5,7,13-14H,4,6,8-12H2,1-3H3,(H,19,22)
InChIKeyXPBVDORDHAACJK-UHFFFAOYSA-N
XLogP3.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(thiophen-2-yl)ethyl]carbamate
CID 11716536
(S)-tert-butyl 1,2-dioxo-1-(thiophen-2-ylmethylamino)heptan-3-ylcarbamate
CID 44375810
Cambridge id 7020648
CID 2924363
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-thiophen-2-ylpropanamide
CID 24646132
N-(1-ethylpiperidin-4-yl)-4-oxo-4-thiophen-2-ylbutanamide
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N-ethyl-3-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxamide
CID 46943863
3-(1-methylpiperidin-2-yl)-N-[2-(3-methyl-2-thienyl)ethyl]propanamide
CID 50976292
1-[1-(4-Thiophen-2-ylbutanoyl)piperidin-4-yl]imidazolidin-2-one
CID 56816289
Methyl 4-{[2-(thiophen-2-YL)acetamido]methyl}piperidine-1-carboxylate
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N-(1-propylpiperidin-4-yl)-2-(thiophen-2-yl)acetamide
CID 17250186
N-methyl-1-(3-thiophen-2-ylpropanoyl)piperidine-4-carboxamide
CID 43067287
tert-butyl N-[2-(5-propylthiophen-2-yl)sulfanylethyl]-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamate
CID 143375672

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]carbamate (CID 47038352) is tert-butyl N-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)CCCc2cccs2)CC1.
What is the InChIKey of tert-butyl N-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]carbamate?
The InChIKey is XPBVDORDHAACJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-18(2,3)23-17(22)19-14-9-11-20(12-10-14)16(21)8-4-6-15-7-5-13-24-15/h5,7,13-14H,4,6,8-12H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl N-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]carbamate has a molecular weight of 352.50 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-thiophen-2-ylbutanoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 47038352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).