N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide

C20H26N4O3S — CID 55770108

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide
SMILESCN(C)C(CNC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)c1cccs1
InChIInChI=1S/C20H26N4O3S/c1-22(2)17(18-4-3-13-28-18)14-21-20(27)24-11-9-23(10-12-24)19(26)15-5-7-16(25)8-6-15/h3-8,13,17,25H,9-12,14H2,1-2H3,(H,21,27)
InChIKeyLTQMJPZRJMXJAV-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.22
Rot. Bonds5

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide (PubChem CID 55770108) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide
PubChem CID55770108
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide
SMILESCN(C)C(CNC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)c1cccs1
InChIInChI=1S/C20H26N4O3S/c1-22(2)17(18-4-3-13-28-18)14-21-20(27)24-11-9-23(10-12-24)19(26)15-5-7-16(25)8-6-15/h3-8,13,17,25H,9-12,14H2,1-2H3,(H,21,27)
InChIKeyLTQMJPZRJMXJAV-UHFFFAOYSA-N
XLogP2.22
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide
CID 94029999
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17499690
1-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 97062251
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 124607017
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
4-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42905460
1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide
CID 81172793
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-hydroxypentanamide
CID 79200485
3-[[4-(4-hydroxybenzoyl)piperazine-1-carbonyl]amino]propanoic acid
CID 122019335
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 61266045

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide (CID 55770108) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide is CN(C)C(CNC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)c1cccs1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide?
The InChIKey is LTQMJPZRJMXJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-22(2)17(18-4-3-13-28-18)14-21-20(27)24-11-9-23(10-12-24)19(26)15-5-7-16(25)8-6-15/h3-8,13,17,25H,9-12,14H2,1-2H3,(H,21,27).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(4-hydroxybenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 55770108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).