N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide

C19H28N6OS — CID 47030817

IUPACN-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESCCN(CC)C(CNC(=O)N1CCN(c2cnccn2)CC1)c1ccsc1
InChIInChI=1S/C19H28N6OS/c1-3-23(4-2)17(16-5-12-27-15-16)13-22-19(26)25-10-8-24(9-11-25)18-14-20-6-7-21-18/h5-7,12,14-15,17H,3-4,8-11,13H2,1-2H3,(H,22,26)
InChIKeyGEPIQSNNEMIOJU-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.45
Rot. Bonds7

About N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide (PubChem CID 47030817) has the molecular formula C19H28N6OS and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
PubChem CID47030817
Molecular FormulaC19H28N6OS
Molecular Weight388.54 g/mol
Exact Mass388.20
IUPAC NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESCCN(CC)C(CNC(=O)N1CCN(c2cnccn2)CC1)c1ccsc1
InChIInChI=1S/C19H28N6OS/c1-3-23(4-2)17(16-5-12-27-15-16)13-22-19(26)25-10-8-24(9-11-25)18-14-20-6-7-21-18/h5-7,12,14-15,17H,3-4,8-11,13H2,1-2H3,(H,22,26)
InChIKeyGEPIQSNNEMIOJU-UHFFFAOYSA-N
XLogP2.45
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-acetylphenyl)-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 38391003
N-[(2R)-2-(diethylamino)-4-methylpentyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 94054508
N-[(2R)-2-(dimethylamino)propyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 95133647
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 166251761
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 51075225
4-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1,4-diazepane-1-carboxamide
CID 94030978
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 39209124
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide
CID 43060727
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 60510440
N-[(2R)-2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 51936361
5-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]pyridine-3-carboxamide
CID 39214471
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide (CID 47030817) is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide is CCN(CC)C(CNC(=O)N1CCN(c2cnccn2)CC1)c1ccsc1.
What is the InChIKey of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide?
The InChIKey is GEPIQSNNEMIOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6OS/c1-3-23(4-2)17(16-5-12-27-15-16)13-22-19(26)25-10-8-24(9-11-25)18-14-20-6-7-21-18/h5-7,12,14-15,17H,3-4,8-11,13H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide?
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-4-pyrazin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 47030817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).