4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide

C14H22N4O2S — CID 61109752

IUPAC4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)c2sccc2N)CC1
InChIInChI=1S/C14H22N4O2S/c1-3-16(4-2)14(20)18-8-6-17(7-9-18)13(19)12-11(15)5-10-21-12/h5,10H,3-4,6-9,15H2,1-2H3
InChIKeyMQVWLYRHZVXDKW-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.55
Rot. Bonds3

About 4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide

4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide (PubChem CID 61109752) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide
PubChem CID61109752
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)c2sccc2N)CC1
InChIInChI=1S/C14H22N4O2S/c1-3-16(4-2)14(20)18-8-6-17(7-9-18)13(19)12-11(15)5-10-21-12/h5,10H,3-4,6-9,15H2,1-2H3
InChIKeyMQVWLYRHZVXDKW-UHFFFAOYSA-N
XLogP1.55
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminothiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 61091260
4-(3-aminothiophene-2-carbonyl)piperazine-1-sulfonamide
CID 61140085
(3-aminothiophen-2-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 61115182
(3-aminothiophen-2-yl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63604493
(3-aminothiophen-2-yl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63157037
N-[1-(3-aminothiophene-2-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 61109066
tert-butyl 4-(3-aminothiophene-2-carbonyl)-1,4-diazepane-1-carboxylate
CID 104933216
N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide
CID 110365441
(3-aminothiophen-2-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 61109278
(3-aminothiophen-2-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 96578007
(3-aminothiophen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407063
(3-aminothiophen-2-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166059

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide (CID 61109752) is 4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)c2sccc2N)CC1.
What is the InChIKey of 4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide?
The InChIKey is MQVWLYRHZVXDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-3-16(4-2)14(20)18-8-6-17(7-9-18)13(19)12-11(15)5-10-21-12/h5,10H,3-4,6-9,15H2,1-2H3.
What are the key properties of 4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide?
4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminothiophene-2-carbonyl)-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 61109752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).