4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide

C23H32N4O2S — CID 9319675

IUPAC4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide
SMILESCc1cccc(CN2CCN(C(=O)NC[C@H](c3cccs3)N3CCOCC3)CC2)c1
InChIInChI=1S/C23H32N4O2S/c1-19-4-2-5-20(16-19)18-25-7-9-27(10-8-25)23(28)24-17-21(22-6-3-15-30-22)26-11-13-29-14-12-26/h2-6,15-16,21H,7-14,17-18H2,1H3,(H,24,28)/t21-/m1/s1
InChIKeyKTKUNOKUGJUQJJ-OAQYLSRUSA-N
MW428.60 g/mol
LogP2.96
Rot. Bonds6

About 4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide

4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide (PubChem CID 9319675) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide
PubChem CID9319675
Molecular FormulaC23H32N4O2S
Molecular Weight428.60 g/mol
Exact Mass428.22
IUPAC Name4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide
SMILESCc1cccc(CN2CCN(C(=O)NC[C@H](c3cccs3)N3CCOCC3)CC2)c1
InChIInChI=1S/C23H32N4O2S/c1-19-4-2-5-20(16-19)18-25-7-9-27(10-8-25)23(28)24-17-21(22-6-3-15-30-22)26-11-13-29-14-12-26/h2-6,15-16,21H,7-14,17-18H2,1H3,(H,24,28)/t21-/m1/s1
InChIKeyKTKUNOKUGJUQJJ-OAQYLSRUSA-N
XLogP2.96
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyrrolidine-1-carboxamide
CID 94494130
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]morpholine-4-carboxamide
CID 93159855
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110398802
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 78788636
3-amino-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)butanamide;dihydrochloride
CID 120502460
6,8-dimethyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
CID 35574751
5-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
CID 93482387
(2R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-2-pyrazol-1-ylpropanamide
CID 94036104
4-[(3-methylphenyl)methyl]-N-(2-methyl-3-pyrazol-1-ylpropyl)piperazine-1-carboxamide
CID 60569660
3-(4-methylphenoxy)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]propanamide
CID 30606558
2,6-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 16831434
N-[2-(4-chlorophenyl)ethyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106832

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide (CID 9319675) is 4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide is Cc1cccc(CN2CCN(C(=O)NC[C@H](c3cccs3)N3CCOCC3)CC2)c1.
What is the InChIKey of 4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide?
The InChIKey is KTKUNOKUGJUQJJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-19-4-2-5-20(16-19)18-25-7-9-27(10-8-25)23(28)24-17-21(22-6-3-15-30-22)26-11-13-29-14-12-26/h2-6,15-16,21H,7-14,17-18H2,1H3,(H,24,28)/t21-/m1/s1.
What are the key properties of 4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide?
4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methyl]-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]piperazine-1-carboxamide is sourced from PubChem (CID 9319675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).