N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide

C16H26N2OS — CID 164547470

IUPACN-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCN2CCC(C)(C)CC2)sc1C
InChIInChI=1S/C16H26N2OS/c1-12-11-14(20-13(12)2)15(19)17-7-10-18-8-5-16(3,4)6-9-18/h11H,5-10H2,1-4H3,(H,17,19)
InChIKeyBBEWCQHGUQVZPZ-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.22
Rot. Bonds4

About N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide

N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 164547470) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID164547470
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC NameN-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCN2CCC(C)(C)CC2)sc1C
InChIInChI=1S/C16H26N2OS/c1-12-11-14(20-13(12)2)15(19)17-7-10-18-8-5-16(3,4)6-9-18/h11H,5-10H2,1-4H3,(H,17,19)
InChIKeyBBEWCQHGUQVZPZ-UHFFFAOYSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
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
5-methyl-N-(4-methylcyclohexyl)thiophene-2-carboxamide
CID 18157799
1-(4,5,6,7-Tetrahydro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide
CID 24979733
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 40233426

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide (CID 164547470) is N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NCCN2CCC(C)(C)CC2)sc1C.
What is the InChIKey of N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is BBEWCQHGUQVZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-12-11-14(20-13(12)2)15(19)17-7-10-18-8-5-16(3,4)6-9-18/h11H,5-10H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide?
N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 294.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 164547470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).