(2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide

C19H22N4O2S — CID 9462046

IUPAC(2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(N2CCN([C@@H](C)C(=O)Nc3sccc3C#N)CC2)cc1
InChIInChI=1S/C19H22N4O2S/c1-14(18(24)21-19-15(13-20)7-12-26-19)22-8-10-23(11-9-22)16-3-5-17(25-2)6-4-16/h3-7,12,14H,8-11H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyPAHKBTHQJHDCEA-AWEZNQCLSA-N
MW370.48 g/mol
LogP2.78
Rot. Bonds5

About (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide

(2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 9462046) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID9462046
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name(2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(N2CCN([C@@H](C)C(=O)Nc3sccc3C#N)CC2)cc1
InChIInChI=1S/C19H22N4O2S/c1-14(18(24)21-19-15(13-20)7-12-26-19)22-8-10-23(11-9-22)16-3-5-17(25-2)6-4-16/h3-7,12,14H,8-11H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyPAHKBTHQJHDCEA-AWEZNQCLSA-N
XLogP2.78
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9462050
(2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431545
N-(3-cyanothiophen-2-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 17447395
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-cyanothiophen-2-yl)propanamide
CID 9445061
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 18078494
(2S)-N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461848
N-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18078500
(2S)-N-cyclopentyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 2576020
(2R)-N-(3-cyanothiophen-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide
CID 9431549
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 3229528
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46162037
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 51242874

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide (CID 9462046) is (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccc(N2CCN([C@@H](C)C(=O)Nc3sccc3C#N)CC2)cc1.
What is the InChIKey of (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is PAHKBTHQJHDCEA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14(18(24)21-19-15(13-20)7-12-26-19)22-8-10-23(11-9-22)16-3-5-17(25-2)6-4-16/h3-7,12,14H,8-11H2,1-2H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide?
(2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 370.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 9462046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).