tert-butyl N-[1-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate

C19H30N2O3S — CID 47049477

IUPACtert-butyl N-[1-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate
SMILESCc1cc(C(=O)N2CCCCC2C(C)NC(=O)OC(C)(C)C)sc1C
InChIInChI=1S/C19H30N2O3S/c1-12-11-16(25-14(12)3)17(22)21-10-8-7-9-15(21)13(2)20-18(23)24-19(4,5)6/h11,13,15H,7-10H2,1-6H3,(H,20,23)
InChIKeyHPRZFBWHMFYTIF-UHFFFAOYSA-N
MW366.53 g/mol
LogP4.27
Rot. Bonds3

About tert-butyl N-[1-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate

tert-butyl N-[1-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate (PubChem CID 47049477) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate
PubChem CID47049477
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC Nametert-butyl N-[1-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate
SMILESCc1cc(C(=O)N2CCCCC2C(C)NC(=O)OC(C)(C)C)sc1C
InChIInChI=1S/C19H30N2O3S/c1-12-11-16(25-14(12)3)17(22)21-10-8-7-9-15(21)13(2)20-18(23)24-19(4,5)6/h11,13,15H,7-10H2,1-6H3,(H,20,23)
InChIKeyHPRZFBWHMFYTIF-UHFFFAOYSA-N
XLogP4.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-{2-[(2-thienylcarbonyl)amino]ethyl}carbamate
CID 2796306
tert-butyl 4-{[(2-thienylcarbonyl)amino]methyl}tetrahydro-1(2H)-pyridinecarboxylate
CID 2810469
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18106469
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541
(4-Isopropyl-piperazin-1-yl)-{5-[(2-methoxy-ethylamino)-methyl]-thiophen-2-yl}-methanone
CID 11587883
N-[2-(dimethylamino)ethyl]-5-ethyl-3-thiophenecarboxamide
CID 1247079
4-fluoro-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]benzamide
CID 3235762
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-2-fluorobenzamide
CID 3236467
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzamide
CID 9550302
N-benzyl-N-methyl-1-[(5-methyl-2-thienyl)carbonyl]-3-piperidinamine
CID 24819399

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate (CID 47049477) is tert-butyl N-[1-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate is Cc1cc(C(=O)N2CCCCC2C(C)NC(=O)OC(C)(C)C)sc1C.
What is the InChIKey of tert-butyl N-[1-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate?
The InChIKey is HPRZFBWHMFYTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-12-11-16(25-14(12)3)17(22)21-10-8-7-9-15(21)13(2)20-18(23)24-19(4,5)6/h11,13,15H,7-10H2,1-6H3,(H,20,23).
What are the key properties of tert-butyl N-[1-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate?
tert-butyl N-[1-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate has a molecular weight of 366.53 g/mol, XLogP of 4.27, 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-[1-(4,5-dimethylthiophene-2-carbonyl)piperidin-2-yl]ethyl]carbamate is sourced from PubChem (CID 47049477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).