(2R)-N-(2-cyanophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide

C19H20N4O2S — CID 8853108

IUPAC(2R)-N-(2-cyanophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1C#N)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H20N4O2S/c1-14(18(24)21-16-6-3-2-5-15(16)13-20)22-8-10-23(11-9-22)19(25)17-7-4-12-26-17/h2-7,12,14H,8-11H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyBLYKNEZQXIJDIE-CQSZACIVSA-N
MW368.46 g/mol
LogP2.40
Rot. Bonds4

About (2R)-N-(2-cyanophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide

(2R)-N-(2-cyanophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide (PubChem CID 8853108) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is (2R)-N-(2-cyanophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyanophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide
PubChem CID8853108
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name(2R)-N-(2-cyanophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1C#N)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H20N4O2S/c1-14(18(24)21-16-6-3-2-5-15(16)13-20)22-8-10-23(11-9-22)19(25)17-7-4-12-26-17/h2-7,12,14H,8-11H2,1H3,(H,21,24)/t14-/m1/s1
InChIKeyBLYKNEZQXIJDIE-CQSZACIVSA-N
XLogP2.40
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide
CID 46801865
N-(2-cyanophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 42912101
N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 46800715
N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 51167878
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 17487362
(2R)-N-(2-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 8516450
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 8513088
2-(4-benzoylpiperazin-1-yl)-N-(2-chlorophenyl)propanamide
CID 18094231
N-(2-acetylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]propanamide
CID 78829253
2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyanophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2-cyanophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide (CID 8853108) is (2R)-N-(2-cyanophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-cyanophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2-cyanophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide is C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of (2R)-N-(2-cyanophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide?
The InChIKey is BLYKNEZQXIJDIE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-14(18(24)21-16-6-3-2-5-15(16)13-20)22-8-10-23(11-9-22)19(25)17-7-4-12-26-17/h2-7,12,14H,8-11H2,1H3,(H,21,24)/t14-/m1/s1.
What are the key properties of (2R)-N-(2-cyanophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide?
(2R)-N-(2-cyanophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide has a molecular weight of 368.46 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyanophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 8853108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).